1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine

C10H14F3N3S — CID 62267143

IUPAC1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine
SMILESCCC(N)C(Sc1nccc(C)n1)C(F)(F)F
InChIInChI=1S/C10H14F3N3S/c1-3-7(14)8(10(11,12)13)17-9-15-5-4-6(2)16-9/h4-5,7-8H,3,14H2,1-2H3
InChIKeyQLZUDVKMYFQJMB-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.55
Rot. Bonds4

About 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine

1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine (PubChem CID 62267143) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine
PubChem CID62267143
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine
SMILESCCC(N)C(Sc1nccc(C)n1)C(F)(F)F
InChIInChI=1S/C10H14F3N3S/c1-3-7(14)8(10(11,12)13)17-9-15-5-4-6(2)16-9/h4-5,7-8H,3,14H2,1-2H3
InChIKeyQLZUDVKMYFQJMB-UHFFFAOYSA-N
XLogP2.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine (CID 62267143) is 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine is CCC(N)C(Sc1nccc(C)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine?
The InChIKey is QLZUDVKMYFQJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-3-7(14)8(10(11,12)13)17-9-15-5-4-6(2)16-9/h4-5,7-8H,3,14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine?
1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine has a molecular weight of 265.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methylpyrimidin-2-yl)sulfanylpentan-3-amine is sourced from PubChem (CID 62267143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).