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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Related Compounds

Pnu-142721
CID 446309
(+)-6-Chloro-2-(furano[3,2-d]pyridin-5-ylethylthio)pyrimidine-4-ylamine
CID 473448
6-(2-Furyl)-5-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 11952665
N-(6-(furan-2-yl)-5-(pyrimidin-4-yl)pyridin-2-yl)acetamide
CID 46880332
2-(Benzylthio)-4-(2-furyl)pyrimidine
CID 2824246
n-(6-Methylpyridin-2-yl)furo[2,3-c]pyridin-7-amine
CID 11160454
4-Pyrimidinamine, 6-chloro-2-(((1S)-1-(3-methylfuro(2,3-c)pyridin-5-yl)ethyl)thio)-
CID 491772
3-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(4-pyridinylmethyl)propanamide
CID 3148115
2-[4-[4-(Furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine
CID 118741298
2-[4-[2-Cyclopropyl-4-(furan-2-yl)pyrimidin-5-yl]pyrimidin-2-yl]sulfanylethanamine
CID 118741345
2-[4-[4-(furan-2-yl)-2-methylpyrimidin-5-yl]pyrimidin-2-yl]sulfanyl-N,N-dimethylethanamine
CID 118741354
2-[(2-Chlorophenyl)methylsulfanyl]-4-(furan-2-yl)pyrimidine
CID 2824244

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).