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

C13H16FN5S — CID 80890784

IUPACN-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C13H16FN5S/c1-5-15-12-16-6-10(14)11(19-12)20-13-17-8(3)7(2)9(4)18-13/h6H,5H2,1-4H3,(H,15,16,19)
InChIKeyZWYCXMIROAYIFX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.91
Rot. Bonds4

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

N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80890784) has the molecular formula C13H16FN5S and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80890784
Molecular FormulaC13H16FN5S
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC NameN-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C13H16FN5S/c1-5-15-12-16-6-10(14)11(19-12)20-13-17-8(3)7(2)9(4)18-13/h6H,5H2,1-4H3,(H,15,16,19)
InChIKeyZWYCXMIROAYIFX-UHFFFAOYSA-N
XLogP2.91
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80890784) is N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is ZWYCXMIROAYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5S/c1-5-15-12-16-6-10(14)11(19-12)20-13-17-8(3)7(2)9(4)18-13/h6H,5H2,1-4H3,(H,15,16,19).
What are the key properties of N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80890784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).