2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

C16H19Cl2N3O — CID 135469041

IUPAC2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccc(Cl)cc2Cl)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C16H19Cl2N3O/c1-9(2)4-6-12-10(3)19-16(21-15(12)22)20-14-7-5-11(17)8-13(14)18/h5,7-9H,4,6H2,1-3H3,(H2,19,20,21,22)
InChIKeyYJZJCZOJUIQWLR-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.72
Rot. Bonds5

About 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 135469041) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID135469041
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCc1nc(Nc2ccc(Cl)cc2Cl)[nH]c(=O)c1CCC(C)C
InChIInChI=1S/C16H19Cl2N3O/c1-9(2)4-6-12-10(3)19-16(21-15(12)22)20-14-7-5-11(17)8-13(14)18/h5,7-9H,4,6H2,1-3H3,(H2,19,20,21,22)
InChIKeyYJZJCZOJUIQWLR-UHFFFAOYSA-N
XLogP4.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135402451
5-benzyl-2-(4-chloro-2-methylanilino)-4-methyl-1H-pyrimidin-6-one
CID 136779025
N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135418958
2-(5-chloro-2-methoxyanilino)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136779002
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
2-(3,4-dichloroanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612058
2-(4-chloroanilino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136740952
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
2-(4-chloro-2-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779023
5-[(4-chlorophenyl)methyl]-4-methyl-2-(1-phenylethylamino)-1H-pyrimidin-6-one
CID 136779695
2-(4-chloro-2-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779020
2-(5-chloro-2-methylanilino)-4-ethyl-1H-pyrimidin-6-one
CID 136778628

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (CID 135469041) is 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is Cc1nc(Nc2ccc(Cl)cc2Cl)[nH]c(=O)c1CCC(C)C.
What is the InChIKey of 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is YJZJCZOJUIQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-9(2)4-6-12-10(3)19-16(21-15(12)22)20-14-7-5-11(17)8-13(14)18/h5,7-9H,4,6H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 340.25 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135469041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).