2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide

C12H16ClN3OS — CID 114234016

IUPAC2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
SMILESCCc1nc(Cl)c(C)c(SCC(=O)NC2CC2)n1
InChIInChI=1S/C12H16ClN3OS/c1-3-9-15-11(13)7(2)12(16-9)18-6-10(17)14-8-4-5-8/h8H,3-6H2,1-2H3,(H,14,17)
InChIKeyDVSPABXMVYMKNR-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.37
Rot. Bonds5

About 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide

2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide (PubChem CID 114234016) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
PubChem CID114234016
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide
SMILESCCc1nc(Cl)c(C)c(SCC(=O)NC2CC2)n1
InChIInChI=1S/C12H16ClN3OS/c1-3-9-15-11(13)7(2)12(16-9)18-6-10(17)14-8-4-5-8/h8H,3-6H2,1-2H3,(H,14,17)
InChIKeyDVSPABXMVYMKNR-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide 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 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide (CID 114234016) is 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide is CCc1nc(Cl)c(C)c(SCC(=O)NC2CC2)n1.
What is the InChIKey of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is DVSPABXMVYMKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-3-9-15-11(13)7(2)12(16-9)18-6-10(17)14-8-4-5-8/h8H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide?
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 285.80 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114234016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).