5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile

C12H10N4O — CID 136769726

IUPAC5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
SMILESCc1nc(-c2cncc(C#N)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H10N4O/c1-7-11(15-8(2)16-12(7)17)10-3-9(4-13)5-14-6-10/h3,5-6H,1-2H3,(H,15,16,17)
InChIKeyREWGHAMQXXONEP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.32
Rot. Bonds1

About 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile

5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile (PubChem CID 136769726) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
PubChem CID136769726
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
SMILESCc1nc(-c2cncc(C#N)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H10N4O/c1-7-11(15-8(2)16-12(7)17)10-3-9(4-13)5-14-6-10/h3,5-6H,1-2H3,(H,15,16,17)
InChIKeyREWGHAMQXXONEP-UHFFFAOYSA-N
XLogP1.32
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769733
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
CID 80976246
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
4-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955503
3-(2-tert-butyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-5-fluorobenzonitrile
CID 136769377
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile
CID 90261250
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile (CID 136769726) is 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile is Cc1nc(-c2cncc(C#N)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
The InChIKey is REWGHAMQXXONEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-7-11(15-8(2)16-12(7)17)10-3-9(4-13)5-14-6-10/h3,5-6H,1-2H3,(H,15,16,17).
What are the key properties of 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 136769726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).