5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine

C9H8FN3OS — CID 80893561

IUPAC5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C9H8FN3OS/c10-7-4-12-9(11)13-8(7)15-5-6-2-1-3-14-6/h1-4H,5H2,(H2,11,12,13)
InChIKeyOIFCBUXQQADQHR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds3

About 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine

5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine (PubChem CID 80893561) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
PubChem CID80893561
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine
SMILESNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C9H8FN3OS/c10-7-4-12-9(11)13-8(7)15-5-6-2-1-3-14-6/h1-4H,5H2,(H2,11,12,13)
InChIKeyOIFCBUXQQADQHR-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine (CID 80893561) is 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine is Nc1ncc(F)c(SCc2ccco2)n1.
What is the InChIKey of 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
The InChIKey is OIFCBUXQQADQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-7-4-12-9(11)13-8(7)15-5-6-2-1-3-14-6/h1-4H,5H2,(H2,11,12,13).
What are the key properties of 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine?
5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80893561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).