6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C14H16ClN3O2S — CID 86668811

IUPAC6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccccc2S(=O)(=O)C(C)C)n1
InChIInChI=1S/C14H16ClN3O2S/c1-9(2)21(19,20)12-7-5-4-6-11(12)18-14-8-13(15)16-10(3)17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyMHFNZOKMRQXPPE-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.36
Rot. Bonds4

About 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 86668811) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID86668811
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCc1nc(Cl)cc(Nc2ccccc2S(=O)(=O)C(C)C)n1
InChIInChI=1S/C14H16ClN3O2S/c1-9(2)21(19,20)12-7-5-4-6-11(12)18-14-8-13(15)16-10(3)17-14/h4-9H,1-3H3,(H,16,17,18)
InChIKeyMHFNZOKMRQXPPE-UHFFFAOYSA-N
XLogP3.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-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-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 86668811) is 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is Cc1nc(Cl)cc(Nc2ccccc2S(=O)(=O)C(C)C)n1.
What is the InChIKey of 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is MHFNZOKMRQXPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9(2)21(19,20)12-7-5-4-6-11(12)18-14-8-13(15)16-10(3)17-14/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 325.82 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 86668811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).