CAS 7749-47-5 | 2-Amino-4-methyl-6-methoxypyrimidine | CAS Number 7749-47-5

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7749-47-5 | 2-Amino-4-methyl-6-methoxypyrimidine

CAS No: 7749-47-5 Catalog No: AG005HGK MDL No:MFCD00059768

Product Description

Catalog Number:

AG005HGK

Chemical Name:

2-Amino-4-methyl-6-methoxypyrimidine

CAS Number:

7749-47-5

Molecular Formula:

C6H9N3O

Molecular Weight:

139.1552

MDL Number:

MFCD00059768

IUPAC Name:

4-methoxy-6-methylpyrimidin-2-amine

InChI:

InChI=1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)

InChI Key:

SNWZXTZIZWBIDQ-UHFFFAOYSA-N

SMILES:

COc1cc(C)nc(n1)N

Properties

Complexity:

109

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

139.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

139.158g/mol

Monoisotopic Mass:

139.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
2-Amino-4-meth-oxy-6-methyl-pyrimidin-1-ium picrate.	Acta crystallographica. Section E, Structure reports online 20100501
Stepwise charge transfer complexation of some pyrimidines with sigma-acceptor iodine involving a new unconventional acceptor.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
The hydrogen bonding and amino-imino tautomerization of the alkoxy-aminopyridines and amino-methoxypyrimidines with acetic acid The effects of the methoxy group.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
Hydrogen bonding in 2-amino-4-methoxy-6-methylpyrimidine, 2-benzylamino-4-benzyloxy-6-methylpyrimidine and 4-benzylamino-2,6-bis(benzyloxy)pyrimidine: pi-stacked chains of fused R22(8) rings, and centrosymmetric R22(8) dimers.	Acta crystallographica. Section C, Crystal structure communications 20030101