2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one

C11H11N3O — CID 82469472

IUPAC2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nccc(=O)[nH]2)cc1N
InChIInChI=1S/C11H11N3O/c1-7-2-3-8(6-9(7)12)11-13-5-4-10(15)14-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyRCNNNULLJWTMLZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds1

About 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one

2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 82469472) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID82469472
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nccc(=O)[nH]2)cc1N
InChIInChI=1S/C11H11N3O/c1-7-2-3-8(6-9(7)12)11-13-5-4-10(15)14-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyRCNNNULLJWTMLZ-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-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 82471766
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 43654623
6-(3-amino-4-methylphenyl)-1H-pyrazin-2-one
CID 68607908
2-[3-(methylamino)phenyl]-1H-pyrimidin-6-one
CID 82469493
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
4-(3-amino-4-methylphenyl)-2-methylpyridazin-3-one
CID 58128682
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
2-(3-cyclopropylphenyl)-1H-pyrimidin-6-one
CID 79980623
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-methyl-5-(5-methyl-1H-imidazol-4-yl)aniline
CID 115017320
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one (CID 82469472) is 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2nccc(=O)[nH]2)cc1N.
What is the InChIKey of 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is RCNNNULLJWTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-2-3-8(6-9(7)12)11-13-5-4-10(15)14-11/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one?
2-(3-amino-4-methylphenyl)-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 2-(3-amino-4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).