6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine

C8H12ClN3O2S — CID 23042428

IUPAC6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(Cl)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H12ClN3O2S/c1-5(2)10-7-4-6(9)11-8(12-7)15(3,13)14/h4-5H,1-3H3,(H,10,11,12)
InChIKeyNAEGATIAYZSADR-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.35
Rot. Bonds3

About 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine

6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 23042428) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID23042428
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(Cl)nc(S(C)(=O)=O)n1
InChIInChI=1S/C8H12ClN3O2S/c1-5(2)10-7-4-6(9)11-8(12-7)15(3,13)14/h4-5H,1-3H3,(H,10,11,12)
InChIKeyNAEGATIAYZSADR-UHFFFAOYSA-N
XLogP1.35
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine 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-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine (CID 23042428) is 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(Cl)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is NAEGATIAYZSADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-5(2)10-7-4-6(9)11-8(12-7)15(3,13)14/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 249.72 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 23042428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).