4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine

C10H7ClFN3S — CID 47159001

IUPAC4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(Sc2ccccc2F)n1
InChIInChI=1S/C10H7ClFN3S/c11-8-5-9(15-10(13)14-8)16-7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15)
InChIKeyPMDMVENNWBXXQA-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine

4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine (PubChem CID 47159001) has the molecular formula C10H7ClFN3S and a molecular weight of 255.71 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
PubChem CID47159001
Molecular FormulaC10H7ClFN3S
Molecular Weight255.71 g/mol
Exact Mass255.00
IUPAC Name4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(Sc2ccccc2F)n1
InChIInChI=1S/C10H7ClFN3S/c11-8-5-9(15-10(13)14-8)16-7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15)
InChIKeyPMDMVENNWBXXQA-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-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 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine (CID 47159001) is 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine is Nc1nc(Cl)cc(Sc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine?
The InChIKey is PMDMVENNWBXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3S/c11-8-5-9(15-10(13)14-8)16-7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15).
What are the key properties of 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine?
4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine has a molecular weight of 255.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluorophenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 47159001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).