4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine

C10H6ClF2N3S — CID 47159164

IUPAC4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C10H6ClF2N3S/c11-8-4-9(16-10(14)15-8)17-7-3-5(12)1-2-6(7)13/h1-4H,(H2,14,15,16)
InChIKeyIBXIQJCELKODPY-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.14
Rot. Bonds2

About 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine

4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine (PubChem CID 47159164) has the molecular formula C10H6ClF2N3S and a molecular weight of 273.70 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine
PubChem CID47159164
Molecular FormulaC10H6ClF2N3S
Molecular Weight273.70 g/mol
Exact Mass272.99
IUPAC Name4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine
SMILESNc1nc(Cl)cc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C10H6ClF2N3S/c11-8-4-9(16-10(14)15-8)17-7-3-5(12)1-2-6(7)13/h1-4H,(H2,14,15,16)
InChIKeyIBXIQJCELKODPY-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine (CID 47159164) is 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine is Nc1nc(Cl)cc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine?
The InChIKey is IBXIQJCELKODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3S/c11-8-4-9(16-10(14)15-8)17-7-3-5(12)1-2-6(7)13/h1-4H,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine?
4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine has a molecular weight of 273.70 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 47159164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).