6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine

C11H10ClN3S — CID 14622190

IUPAC6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccccc2)n1
InChIInChI=1S/C11H10ClN3S/c1-16-11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyNQSHFGWVOOPMOP-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.60
Rot. Bonds3

About 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine (PubChem CID 14622190) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
PubChem CID14622190
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccccc2)n1
InChIInChI=1S/C11H10ClN3S/c1-16-11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyNQSHFGWVOOPMOP-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-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-methylsulfanyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine (CID 14622190) is 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine is CSc1nc(Cl)cc(Nc2ccccc2)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
The InChIKey is NQSHFGWVOOPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-16-11-14-9(12)7-10(15-11)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine has a molecular weight of 251.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 14622190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).