2-(3-fluorophenyl)sulfanylpyrimidin-4-amine

C10H8FN3S — CID 116798311

IUPAC2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3S/c11-7-2-1-3-8(6-7)15-10-13-5-4-9(12)14-10/h1-6H,(H2,12,13,14)
InChIKeyHPSPEQWOENWSBM-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds2

About 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine

2-(3-fluorophenyl)sulfanylpyrimidin-4-amine (PubChem CID 116798311) has the molecular formula C10H8FN3S and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
PubChem CID116798311
Molecular FormulaC10H8FN3S
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name2-(3-fluorophenyl)sulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2cccc(F)c2)n1
InChIInChI=1S/C10H8FN3S/c11-7-2-1-3-8(6-7)15-10-13-5-4-9(12)14-10/h1-6H,(H2,12,13,14)
InChIKeyHPSPEQWOENWSBM-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine (CID 116798311) is 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine is Nc1ccnc(Sc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine?
The InChIKey is HPSPEQWOENWSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3S/c11-7-2-1-3-8(6-7)15-10-13-5-4-9(12)14-10/h1-6H,(H2,12,13,14).
What are the key properties of 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine?
2-(3-fluorophenyl)sulfanylpyrimidin-4-amine has a molecular weight of 221.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 116798311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).