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

C11H11N3O — CID 135926896

IUPAC4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-7-13-10(6-11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyHUALXPGBEZSXNZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds1

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

4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135926896) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID135926896
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-7-13-10(6-11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyHUALXPGBEZSXNZ-UHFFFAOYSA-N
XLogP1.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.33
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

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
4(3H)-Pyrimidinone, 2,6-dimethyl-3-(2-methylphenyl)-
CID 200789
N-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)phenyl]acetamide
CID 136245108
6-phenyl-2-[(E)-2-phenylethenyl]pyrimidin-4(1H)-one
CID 135580273
1-(4-Methylphenyl)-2-methyl-6-phenyl-pyrimidin-4(1H)-one
CID 616621
4-[(4-aminophenyl)methyl]-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135511181
2,5-dimethyl-6-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171344032
5-(4-aminophenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177659718
5-Cyano-2-methyl-4-oxo-6-phenyl-3,4-dihydropyrimidine
CID 135525022
2-Methyl-3-(4-methylphenyl)-pyrimidin-4(3H)-one
CID 583535

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one (CID 135926896) is 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HUALXPGBEZSXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-13-10(6-11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one?
4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135926896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).