2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

C17H15N3O — CID 136764468

IUPAC2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2cccc(N)c2)[nH]c1=O
InChIInChI=1S/C17H15N3O/c1-11-15(12-6-3-2-4-7-12)19-16(20-17(11)21)13-8-5-9-14(18)10-13/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyJYEATHCGKSLVQS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.99
Rot. Bonds2

About 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136764468) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136764468
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2cccc(N)c2)[nH]c1=O
InChIInChI=1S/C17H15N3O/c1-11-15(12-6-3-2-4-7-12)19-16(20-17(11)21)13-8-5-9-14(18)10-13/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyJYEATHCGKSLVQS-UHFFFAOYSA-N
XLogP2.99
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2-(2-chlorophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764407
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764381
5-methyl-2-(5-methylfuran-2-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136764434
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
2-(1-methoxypropan-2-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136930656
2-(3-aminophenyl)-7-(2-phenylethyl)-1H-purin-6-one
CID 135708870

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136764468) is 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(-c2cccc(N)c2)[nH]c1=O.
What is the InChIKey of 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is JYEATHCGKSLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-15(12-6-3-2-4-7-12)19-16(20-17(11)21)13-8-5-9-14(18)10-13/h2-10H,18H2,1H3,(H,19,20,21).
What are the key properties of 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).