2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile

C12H10N4O — CID 113385081

IUPAC2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCCc1cccnc1-c1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C12H10N4O/c1-2-8-4-3-5-14-10(8)11-15-7-9(6-13)12(17)16-11/h3-5,7H,2H2,1H3,(H,15,16,17)
InChIKeyVAKWIDCUAWNZJC-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.27
Rot. Bonds2

About 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile

2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 113385081) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID113385081
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCCc1cccnc1-c1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C12H10N4O/c1-2-8-4-3-5-14-10(8)11-15-7-9(6-13)12(17)16-11/h3-5,7H,2H2,1H3,(H,15,16,17)
InChIKeyVAKWIDCUAWNZJC-UHFFFAOYSA-N
XLogP1.27
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 21388807
2-(4-tert-butylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82298468
2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82281081
2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82307079
2-ethylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 658007
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 116734529
3-(3-ethyl-2-pyridinyl)-1H-quinolin-2-one
CID 139729736
5-ethylquinoline-8-carbonitrile
CID 146709556
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
2-(3-bromo-2-pyridinyl)-3-ethylpyridine
CID 167433763
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136701103

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 113385081) is 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile is CCc1cccnc1-c1ncc(C#N)c(=O)[nH]1.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is VAKWIDCUAWNZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-8-4-3-5-14-10(8)11-15-7-9(6-13)12(17)16-11/h3-5,7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 113385081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).