5-chloro-2,4-dimethyl-1H-pyrimidin-6-one

C6H7ClN2O — CID 135741800

IUPAC5-chloro-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H7ClN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
InChIKeyLXFHKZZKOARREG-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.04
Rot. Bonds

About 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one

5-chloro-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135741800) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135741800
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name5-chloro-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H7ClN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
InChIKeyLXFHKZZKOARREG-UHFFFAOYSA-N
XLogP1.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,4-dimethyl-1H-pyrimidin-6-one;hydrochloride
CID 135439769
6-(Chloromethyl)-2-methylpyrimidin-4-ol
CID 135464838
2-(Chloromethyl)-6-methylpyrimidin-4-ol
CID 135472858
5-Fluoro-2,6-dimethylpyrimidin-4(1h)-one
CID 135416969
2-(Chloromethyl)-5-fluoro-6-methyl-3,4-dihydropyrimidin-4-one
CID 136288316
5-Chloro-2-cyclopropyl-6-methylpyrimidin-4-ol
CID 135418941
5-Iodo-2,6-dimethylpyrimidin-4-ol
CID 135447935
6-Chloro-5-fluoro-2-methylpyrimidin-4-ol
CID 135638420
5-Chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-OL
CID 135738612
5-fluoro-4-(fluoromethyl)-2-methyl-1H-pyrimidin-6-one
CID 136170861
5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4(3H)-one
CID 136910431
2-Tert-butyl-5-chloro-6-methyl-pyrimidin-4-OL
CID 135418942

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one (CID 135741800) is 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LXFHKZZKOARREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10).
What are the key properties of 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one?
5-chloro-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 158.59 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135741800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).