4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine

C10H6ClF2N3S — CID 60725981

IUPAC4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C10H6ClF2N3S/c11-9-8(14)10(16-4-15-9)17-5-1-2-6(12)7(13)3-5/h1-4H,14H2
InChIKeyJYHKJLNBCJNFIN-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.14
Rot. Bonds2

About 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine

4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine (PubChem CID 60725981) has the molecular formula C10H6ClF2N3S and a molecular weight of 273.70 g/mol. Its IUPAC name is 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine
PubChem CID60725981
Molecular FormulaC10H6ClF2N3S
Molecular Weight273.70 g/mol
Exact Mass272.99
IUPAC Name4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C10H6ClF2N3S/c11-9-8(14)10(16-4-15-9)17-5-1-2-6(12)7(13)3-5/h1-4H,14H2
InChIKeyJYHKJLNBCJNFIN-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-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine (CID 60725981) is 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine is Nc1c(Cl)ncnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine?
The InChIKey is JYHKJLNBCJNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3S/c11-9-8(14)10(16-4-15-9)17-5-1-2-6(12)7(13)3-5/h1-4H,14H2.
What are the key properties of 4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine?
4-chloro-6-(3,4-difluorophenyl)sulfanylpyrimidin-5-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-(3,4-difluorophenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 60725981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).