4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one

C16H13N3O2 — CID 139270583

IUPAC4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2cc(=O)[nH]c(-c3ccncc3)n2)c1
InChIInChI=1S/C16H13N3O2/c1-21-13-4-2-3-12(9-13)14-10-15(20)19-16(18-14)11-5-7-17-8-6-11/h2-10H,1H3,(H,18,19,20)
InChIKeyPTUWPJGKZXMHFG-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one

4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 139270583) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID139270583
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2cc(=O)[nH]c(-c3ccncc3)n2)c1
InChIInChI=1S/C16H13N3O2/c1-21-13-4-2-3-12(9-13)14-10-15(20)19-16(18-14)11-5-7-17-8-6-11/h2-10H,1H3,(H,18,19,20)
InChIKeyPTUWPJGKZXMHFG-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025507
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
2-(3-bromophenyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135418402
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
4-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 139891889
2-[[4-(3-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid
CID 136923212
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 139270583) is 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one is COc1cccc(-c2cc(=O)[nH]c(-c3ccncc3)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is PTUWPJGKZXMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-13-4-2-3-12(9-13)14-10-15(20)19-16(18-14)11-5-7-17-8-6-11/h2-10H,1H3,(H,18,19,20).
What are the key properties of 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 279.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 139270583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).