2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one

C18H17N3O — CID 135645206

IUPAC2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccccc2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C18H17N3O/c1-13-16(12-14-8-4-2-5-9-14)17(22)21-18(19-13)20-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,19,20,21,22)
InChIKeyXTLHMSXJVRABLW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.41
Rot. Bonds4

About 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one

2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135645206) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135645206
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccccc2)[nH]c(=O)c1Cc1ccccc1
InChIInChI=1S/C18H17N3O/c1-13-16(12-14-8-4-2-5-9-14)17(22)21-18(19-13)20-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,19,20,21,22)
InChIKeyXTLHMSXJVRABLW-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-(4-fluoroanilino)-4-methyl-1H-pyrimidin-6-one
CID 135633224
2-anilino-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135645205
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
2-(1,3-benzothiazol-2-ylamino)-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135463192
5-benzyl-2-(4-chloro-2-methylanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779025
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
5-benzyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135422583
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
5-benzyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
CID 136910492
2-(4-chloroanilino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136740952
5-[(4-chlorophenyl)methyl]-4-methyl-2-(1-phenylethylamino)-1H-pyrimidin-6-one
CID 136779695
2-(4-ethylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612053

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one (CID 135645206) is 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one is Cc1nc(Nc2ccccc2)[nH]c(=O)c1Cc1ccccc1.
What is the InChIKey of 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XTLHMSXJVRABLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-16(12-14-8-4-2-5-9-14)17(22)21-18(19-13)20-15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one?
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 291.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135645206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).