5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile

C14H14N4O — CID 136769733

IUPAC5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2cncc(C#N)c2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H14N4O/c1-8(2)13-17-12(9(3)14(19)18-13)11-4-10(5-15)6-16-7-11/h4,6-8H,1-3H3,(H,17,18,19)
InChIKeyULFVBISXSZZREX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.14
Rot. Bonds2

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

5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile (PubChem CID 136769733) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
PubChem CID136769733
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
SMILESCc1c(-c2cncc(C#N)c2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H14N4O/c1-8(2)13-17-12(9(3)14(19)18-13)11-4-10(5-15)6-16-7-11/h4,6-8H,1-3H3,(H,17,18,19)
InChIKeyULFVBISXSZZREX-UHFFFAOYSA-N
XLogP2.14
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethyl-6-oxo-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769726
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
CID 80976246
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
5-(5-amino-6-oxo-1H-pyridin-3-yl)pyridine-3-carbonitrile
CID 90261250
3-(2-tert-butyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-5-fluorobenzonitrile
CID 136769377
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile (CID 136769733) is 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile is Cc1c(-c2cncc(C#N)c2)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
The InChIKey is ULFVBISXSZZREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8(2)13-17-12(9(3)14(19)18-13)11-4-10(5-15)6-16-7-11/h4,6-8H,1-3H3,(H,17,18,19).
What are the key properties of 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile?
5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 136769733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).