5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

C11H12FN5S — CID 80890438

IUPAC5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCc1nc(Sc2nc(N)ncc2F)nc(C)c1C
InChIInChI=1S/C11H12FN5S/c1-5-6(2)15-11(16-7(5)3)18-9-8(12)4-14-10(13)17-9/h4H,1-3H3,(H2,13,14,17)
InChIKeyIBEKBWXXFUSUHK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.06
Rot. Bonds2

About 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine

5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80890438) has the molecular formula C11H12FN5S and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80890438
Molecular FormulaC11H12FN5S
Molecular Weight265.32 g/mol
Exact Mass265.08
IUPAC Name5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCc1nc(Sc2nc(N)ncc2F)nc(C)c1C
InChIInChI=1S/C11H12FN5S/c1-5-6(2)15-11(16-7(5)3)18-9-8(12)4-14-10(13)17-9/h4H,1-3H3,(H2,13,14,17)
InChIKeyIBEKBWXXFUSUHK-UHFFFAOYSA-N
XLogP2.06
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80890438) is 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is Cc1nc(Sc2nc(N)ncc2F)nc(C)c1C.
What is the InChIKey of 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is IBEKBWXXFUSUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5S/c1-5-6(2)15-11(16-7(5)3)18-9-8(12)4-14-10(13)17-9/h4H,1-3H3,(H2,13,14,17).
What are the key properties of 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80890438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).