6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine

C13H11ClN4OS — CID 1857

IUPAC6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
InChIInChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
InChIKeyATCRIOJPQXDFNY-UHFFFAOYSA-N
MW306.78 g/mol
LogP3.71
Rot. Bonds3

About 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine

6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine (PubChem CID 1857) has the molecular formula C13H11ClN4OS and a molecular weight of 306.78 g/mol. Its IUPAC name is 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine
PubChem CID1857
Molecular FormulaC13H11ClN4OS
Molecular Weight306.78 g/mol
Exact Mass306.03
IUPAC Name6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
InChIInChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)
InChIKeyATCRIOJPQXDFNY-UHFFFAOYSA-N
XLogP3.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine (CID 1857) is 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine is CC(Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1.
What is the InChIKey of 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine?
The InChIKey is ATCRIOJPQXDFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18).
What are the key properties of 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine?
6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine has a molecular weight of 306.78 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 1857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).