2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one

C17H15N3O — CID 135474929

IUPAC2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cncc(-c3cc(=O)[nH]c(C)n3)c2)cc1
InChIInChI=1S/C17H15N3O/c1-11-3-5-13(6-4-11)14-7-15(10-18-9-14)16-8-17(21)20-12(2)19-16/h3-10H,1-2H3,(H,19,20,21)
InChIKeyGRRZPXKHYALKBH-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one

2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 135474929) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID135474929
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cncc(-c3cc(=O)[nH]c(C)n3)c2)cc1
InChIInChI=1S/C17H15N3O/c1-11-3-5-13(6-4-11)14-7-15(10-18-9-14)16-8-17(21)20-12(2)19-16/h3-10H,1-2H3,(H,19,20,21)
InChIKeyGRRZPXKHYALKBH-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
(2E)-3-(4-tert-butylphenyl)-N-(pyridin-3-yl)prop-2-enamide
CID 749825
3-(4-tert-butylphenyl)-N-4-pyridinylacrylamide
CID 898426
2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
N-(4''-Isonicotinoylbiphenyl-3-yl)acetamide
CID 46901613
3-[4-(5-Pentyl-2-pyridinyl)phenyl]acrylamide
CID 2288424
(E)-3-(4-(5-pentylpyridin-2-yl)phenyl)-1-(piperidin-1-yl)prop-2-en-1-one
CID 5942248
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-pyridin-2-ylmethyl-acetamide
CID 9842688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one (CID 135474929) is 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one is Cc1ccc(-c2cncc(-c3cc(=O)[nH]c(C)n3)c2)cc1.
What is the InChIKey of 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is GRRZPXKHYALKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-3-5-13(6-4-11)14-7-15(10-18-9-14)16-8-17(21)20-12(2)19-16/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one?
2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135474929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).