4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

C18H17N3O — CID 139685391

IUPAC4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(-c3cccc(C)n3)n2)c(C)c1
InChIInChI=1S/C18H17N3O/c1-11-7-8-14(12(2)9-11)16-10-17(22)21-18(20-16)15-6-4-5-13(3)19-15/h4-10H,1-3H3,(H,20,21,22)
InChIKeyAWOIMWWEPIOPMZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.42
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one

4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 139685391) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID139685391
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(-c3cccc(C)n3)n2)c(C)c1
InChIInChI=1S/C18H17N3O/c1-11-7-8-14(12(2)9-11)16-10-17(22)21-18(20-16)15-6-4-5-13(3)19-15/h4-10H,1-3H3,(H,20,21,22)
InChIKeyAWOIMWWEPIOPMZ-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 137210861
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
4-hydroxy-5-iodo-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 66285779
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
4-(4-methoxy-2-methylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 136955604
2-(3,5-dimethyl-2-pyridinyl)-4-phenyl-1H-pyrimidin-6-one
CID 136914532
2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941632
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine
CID 116896809
5-(6-methyl-2-pyridinyl)-1,2-oxazol-3-one
CID 10583405
2-(2,4-dimethylphenyl)-5-methylimidazo[1,2-a]pyridine;hydrobromide
CID 19234163

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one (CID 139685391) is 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(-c3cccc(C)n3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is AWOIMWWEPIOPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-7-8-14(12(2)9-11)16-10-17(22)21-18(20-16)15-6-4-5-13(3)19-15/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 291.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 139685391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).