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

C12H14FN3OS — CID 80892757

IUPAC5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C12H14FN3OS/c1-2-5-14-12-15-7-10(13)11(16-12)18-8-9-4-3-6-17-9/h3-4,6-7H,2,5,8H2,1H3,(H,14,15,16)
InChIKeyPUMZUWQZENNQKD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds6

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

5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine (PubChem CID 80892757) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
PubChem CID80892757
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(SCc2ccco2)n1
InChIInChI=1S/C12H14FN3OS/c1-2-5-14-12-15-7-10(13)11(16-12)18-8-9-4-3-6-17-9/h3-4,6-7H,2,5,8H2,1H3,(H,14,15,16)
InChIKeyPUMZUWQZENNQKD-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
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-propylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine (CID 80892757) is 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine is CCCNc1ncc(F)c(SCc2ccco2)n1.
What is the InChIKey of 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
The InChIKey is PUMZUWQZENNQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-2-5-14-12-15-7-10(13)11(16-12)18-8-9-4-3-6-17-9/h3-4,6-7H,2,5,8H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine?
5-fluoro-4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.32, 6 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-propylpyrimidin-2-amine is sourced from PubChem (CID 80892757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).