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

C14H18FN5S — CID 80886994

IUPAC5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H18FN5S/c1-5-6-16-13-17-7-11(15)12(20-13)21-14-18-9(3)8(2)10(4)19-14/h7H,5-6H2,1-4H3,(H,16,17,20)
InChIKeyMEFCRYCBSJLBRK-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.30
Rot. Bonds5

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

5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (PubChem CID 80886994) has the molecular formula C14H18FN5S and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
PubChem CID80886994
Molecular FormulaC14H18FN5S
Molecular Weight307.40 g/mol
Exact Mass307.13
IUPAC Name5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
SMILESCCCNc1ncc(F)c(Sc2nc(C)c(C)c(C)n2)n1
InChIInChI=1S/C14H18FN5S/c1-5-6-16-13-17-7-11(15)12(20-13)21-14-18-9(3)8(2)10(4)19-14/h7H,5-6H2,1-4H3,(H,16,17,20)
InChIKeyMEFCRYCBSJLBRK-UHFFFAOYSA-N
XLogP3.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine (CID 80886994) is 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is CCCNc1ncc(F)c(Sc2nc(C)c(C)c(C)n2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
The InChIKey is MEFCRYCBSJLBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5S/c1-5-6-16-13-17-7-11(15)12(20-13)21-14-18-9(3)8(2)10(4)19-14/h7H,5-6H2,1-4H3,(H,16,17,20).
What are the key properties of 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine?
5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80886994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).