5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine

C7H10FN3S — CID 130593820

IUPAC5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCC(C)Sc1ncc(F)c(N)n1
InChIInChI=1S/C7H10FN3S/c1-4(2)12-7-10-3-5(8)6(9)11-7/h3-4H,1-2H3,(H2,9,10,11)
InChIKeySQNAVDMRFRPMCF-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.70
Rot. Bonds2

About 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine

5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 130593820) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID130593820
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC Name5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCC(C)Sc1ncc(F)c(N)n1
InChIInChI=1S/C7H10FN3S/c1-4(2)12-7-10-3-5(8)6(9)11-7/h3-4H,1-2H3,(H2,9,10,11)
InChIKeySQNAVDMRFRPMCF-UHFFFAOYSA-N
XLogP1.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine (CID 130593820) is 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine is CC(C)Sc1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is SQNAVDMRFRPMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-4(2)12-7-10-3-5(8)6(9)11-7/h3-4H,1-2H3,(H2,9,10,11).
What are the key properties of 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine?
5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 187.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 130593820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).