5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine

C14H10FN3S — CID 52911595

IUPAC5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine
SMILESNc1nc(Sc2cccc3ccccc23)ncc1F
InChIInChI=1S/C14H10FN3S/c15-11-8-17-14(18-13(11)16)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,17,18)
InChIKeyQCLQSRFJWUEIGV-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.50
Rot. Bonds2

About 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine

5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine (PubChem CID 52911595) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine
PubChem CID52911595
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine
SMILESNc1nc(Sc2cccc3ccccc23)ncc1F
InChIInChI=1S/C14H10FN3S/c15-11-8-17-14(18-13(11)16)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,17,18)
InChIKeyQCLQSRFJWUEIGV-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine (CID 52911595) is 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine is Nc1nc(Sc2cccc3ccccc23)ncc1F.
What is the InChIKey of 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine?
The InChIKey is QCLQSRFJWUEIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-11-8-17-14(18-13(11)16)19-12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,17,18).
What are the key properties of 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine?
5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-naphthalen-1-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 52911595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).