6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one

C10H13ClN2O — CID 114584274

IUPAC6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC1CC1
InChIInChI=1S/C10H13ClN2O/c1-2-9-12-8(11)5-10(14)13(9)6-7-3-4-7/h5,7H,2-4,6H2,1H3
InChIKeyMSPCVVSKRWZSGI-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.87
Rot. Bonds3

About 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one

6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one (PubChem CID 114584274) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one
PubChem CID114584274
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CC1CC1
InChIInChI=1S/C10H13ClN2O/c1-2-9-12-8(11)5-10(14)13(9)6-7-3-4-7/h5,7H,2-4,6H2,1H3
InChIKeyMSPCVVSKRWZSGI-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-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 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one (CID 114584274) is 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CC1CC1.
What is the InChIKey of 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one?
The InChIKey is MSPCVVSKRWZSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-2-9-12-8(11)5-10(14)13(9)6-7-3-4-7/h5,7H,2-4,6H2,1H3.
What are the key properties of 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one?
6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one has a molecular weight of 212.68 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(cyclopropylmethyl)-2-ethylpyrimidin-4-one is sourced from PubChem (CID 114584274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).