5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one

C8H9ClN2O — CID 135418941

IUPAC5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1Cl
InChIInChI=1S/C8H9ClN2O/c1-4-6(9)8(12)11-7(10-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11,12)
InChIKeyVYMBUMVBJGWSSR-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.61
Rot. Bonds1

About 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one

5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135418941) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135418941
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC2)[nH]c(=O)c1Cl
InChIInChI=1S/C8H9ClN2O/c1-4-6(9)8(12)11-7(10-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11,12)
InChIKeyVYMBUMVBJGWSSR-UHFFFAOYSA-N
XLogP1.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-cyclopropyl-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one (CID 135418941) is 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one is Cc1nc(C2CC2)[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VYMBUMVBJGWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-4-6(9)8(12)11-7(10-4)5-2-3-5/h5H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 184.63 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).