4-anilino-6-methyl-1H-pyrimidin-2-one

C11H11N3O — CID 13063757

IUPAC4-anilino-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(Nc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-8-7-10(14-11(15)12-8)13-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyOTYJSHLRFBBKIA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.82
Rot. Bonds2

About 4-anilino-6-methyl-1H-pyrimidin-2-one

4-anilino-6-methyl-1H-pyrimidin-2-one (PubChem CID 13063757) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-anilino-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-anilino-6-methyl-1H-pyrimidin-2-one
PubChem CID13063757
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-anilino-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(Nc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-8-7-10(14-11(15)12-8)13-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyOTYJSHLRFBBKIA-UHFFFAOYSA-N
XLogP1.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-methyl-N-phenylquinolin-2-amine
CID 616278
6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
CID 13227966
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
2-(4-anilino-6-methylpyrimidin-2-yl)sulfanylacetic acid
CID 82017684
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 105487601
3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid
CID 162337786
4,5,7-trimethyl-N-phenylquinolin-2-amine
CID 740918
6-(difluoromethyl)-2-methyl-N-phenylpyrimidin-4-amine
CID 154882747
2-cyclopropyl-6-methyl-N-phenylpyrimidin-4-amine
CID 163350504
4-N-(3,4-dichlorophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876939

Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-anilino-6-methyl-1H-pyrimidin-2-one (CID 13063757) is 4-anilino-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-anilino-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-anilino-6-methyl-1H-pyrimidin-2-one is Cc1cc(Nc2ccccc2)nc(=O)[nH]1.
What is the InChIKey of 4-anilino-6-methyl-1H-pyrimidin-2-one?
The InChIKey is OTYJSHLRFBBKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-7-10(14-11(15)12-8)13-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of 4-anilino-6-methyl-1H-pyrimidin-2-one?
4-anilino-6-methyl-1H-pyrimidin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 13063757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).