1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile

C15H15N3O — CID 116851938

IUPAC1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile
SMILESCc1cc(C)c(-c2nc(=O)n(C)cc2C#N)cc1C
InChIInChI=1S/C15H15N3O/c1-9-5-11(3)13(6-10(9)2)14-12(7-16)8-18(4)15(19)17-14/h5-6,8H,1-4H3
InChIKeyHTULHLHKJXJEIB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.24
Rot. Bonds1

About 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile

1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile (PubChem CID 116851938) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile
PubChem CID116851938
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile
SMILESCc1cc(C)c(-c2nc(=O)n(C)cc2C#N)cc1C
InChIInChI=1S/C15H15N3O/c1-9-5-11(3)13(6-10(9)2)14-12(7-16)8-18(4)15(19)17-14/h5-6,8H,1-4H3
InChIKeyHTULHLHKJXJEIB-UHFFFAOYSA-N
XLogP2.24
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-3,5-dimethylphenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851937
4-(3-bromophenyl)-1-methyl-2-oxopyrimidine-5-carbonitrile
CID 116851963
1-methyl-2-oxo-4-pyridin-2-ylpyrimidine-5-carbonitrile
CID 116851964
2-(2,4,5-trimethylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889937
1-methyl-4,5-diphenylpyrimidin-2-one
CID 12523498
1,5-dimethyl-4-(methylamino)pyrimidin-2-one
CID 10351878
5-(1,3-dioxoisoindol-2-yl)-2,4-dimethylbenzonitrile
CID 168518990
5-(2-methoxy-4,5-dimethylphenyl)-1,2-dimethylpyrrole-3-carbonitrile
CID 116828589
3-(2,4-dichlorophenyl)-1-methylpyrazole-4-carbonitrile
CID 15116022
5-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrole-3-carbonitrile
CID 104677103
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile (CID 116851938) is 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile is Cc1cc(C)c(-c2nc(=O)n(C)cc2C#N)cc1C.
What is the InChIKey of 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile?
The InChIKey is HTULHLHKJXJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-5-11(3)13(6-10(9)2)14-12(7-16)8-18(4)15(19)17-14/h5-6,8H,1-4H3.
What are the key properties of 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile?
1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-4-(2,4,5-trimethylphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 116851938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).