5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine

C10H10FN3OS — CID 80893241

IUPAC5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C10H10FN3OS/c1-12-10-13-5-8(11)9(14-10)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyZWMGSFZECIECOI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.54
Rot. Bonds4

About 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine

5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine (PubChem CID 80893241) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine
PubChem CID80893241
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C10H10FN3OS/c1-12-10-13-5-8(11)9(14-10)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyZWMGSFZECIECOI-UHFFFAOYSA-N
XLogP2.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.54
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)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine (CID 80893241) is 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine is CNc1ncc(F)c(SCc2ccco2)n1.
What is the InChIKey of 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine?
The InChIKey is ZWMGSFZECIECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-12-10-13-5-8(11)9(14-10)16-6-7-3-2-4-15-7/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine?
5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-methylpyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.54, 4 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)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80893241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).