CAS 155-90-8 | 2-Pyrimidinamine, 4-methoxy- | CAS Number 155-90-8

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155-90-8 | 2-Pyrimidinamine, 4-methoxy-

CAS No: 155-90-8 Catalog No: AG001NJJ MDL No:MFCD00619233

Product Description

Catalog Number:

AG001NJJ

Chemical Name:

2-Pyrimidinamine, 4-methoxy-

CAS Number:

155-90-8

Molecular Formula:

C5H7N3O

Molecular Weight:

125.1286

MDL Number:

MFCD00619233

IUPAC Name:

4-methoxypyrimidin-2-amine

InChI:

InChI=1S/C5H7N3O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)

InChI Key:

YNXLSFXQTQKQEF-UHFFFAOYSA-N

SMILES:

COc1ccnc(n1)N

UNII:

C8DOV7S79V

NSC Number:

25503

Properties

Complexity:

88.3

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

125.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

125.131g/mol

Monoisotopic Mass:

125.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
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