CAS 2036-41-1 | Pyrimidine, 5-methyl- | CAS Number 2036-41-1

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2036-41-1 | Pyrimidine, 5-methyl-

CAS No: 2036-41-1 Catalog No: AG002915 MDL No:MFCD00047386

Product Description

Catalog Number:

AG002915

Chemical Name:

Pyrimidine, 5-methyl-

CAS Number:

2036-41-1

Molecular Formula:

C5H6N2

Molecular Weight:

94.1145

MDL Number:

MFCD00047386

IUPAC Name:

5-methylpyrimidine

InChI:

InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3

InChI Key:

TWGNOYAGHYUFFR-UHFFFAOYSA-N

SMILES:

Cc1cncnc1

EC Number:

218-006-9

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

94.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

94.117g/mol

Monoisotopic Mass:

94.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
S0 and S1 state structure, methyl torsional barrier heights, and fast intersystem crossing dynamics of 5-methyl-2-hydroxypyrimidine.	The journal of physical chemistry. A 20111124
Development of miracle medicines from sialic acids.	Proceedings of the Japan Academy. Series B, Physical and biological sciences 20110610
On the role of methyl torsional modes in the intersystem crossing dynamics of isolated molecules.	The journal of physical chemistry. A 20071213
Antiviral and cytostatic evaluation of the novel 6-acyclic chain substituted thymine derivatives.	Antiviral chemistry & chemotherapy 20050101