1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile

C11H8N4O — CID 116851964

IUPAC1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCn1cc(C#N)c(-c2ccccn2)nc1=O
InChIInChI=1S/C11H8N4O/c1-15-7-8(6-12)10(14-11(15)16)9-4-2-3-5-13-9/h2-5,7H,1H3
InChIKeyYPTQIYVZLUFQSO-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.71
Rot. Bonds1

About 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile

1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile (PubChem CID 116851964) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile
PubChem CID116851964
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCn1cc(C#N)c(-c2ccccn2)nc1=O
InChIInChI=1S/C11H8N4O/c1-15-7-8(6-12)10(14-11(15)16)9-4-2-3-5-13-9/h2-5,7H,1H3
InChIKeyYPTQIYVZLUFQSO-UHFFFAOYSA-N
XLogP0.71
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile
CID 73439061
4-(3-bromophenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851963
1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile
CID 116851938
1-methyl-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrole-3-carbonitrile
CID 103739760
4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851937
2-oxo-1-phenyl-6-pyridin-2-ylpyridine-3-carbonitrile
CID 130447976
6-methyl-4-pyridin-2-ylpyridine-3-carbonitrile
CID 82112135
4,5-dimethyl-6-pyridin-2-ylpyridine-2,3-dicarbonitrile
CID 18716383
2-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 11218536
1-methyl-4,5-diphenylpyrimidin-2-one
CID 12523498
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
2-(3-bromo-2-oxo-5-pyridin-2-yl-1-pyridinyl)benzonitrile
CID 71534427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile (CID 116851964) is 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile is Cn1cc(C#N)c(-c2ccccn2)nc1=O.
What is the InChIKey of 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile?
The InChIKey is YPTQIYVZLUFQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c1-15-7-8(6-12)10(14-11(15)16)9-4-2-3-5-13-9/h2-5,7H,1H3.
What are the key properties of 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile?
1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116851964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).