3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

C10H14F3N3S — CID 65038914

IUPAC3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCc1nc(SC(CN)C(F)(F)F)nc(C)c1C
InChIInChI=1S/C10H14F3N3S/c1-5-6(2)15-9(16-7(5)3)17-8(4-14)10(11,12)13/h8H,4,14H2,1-3H3
InChIKeyKMWVWTBTKVZBEY-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.38
Rot. Bonds3

About 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine

3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (PubChem CID 65038914) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
PubChem CID65038914
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
SMILESCc1nc(SC(CN)C(F)(F)F)nc(C)c1C
InChIInChI=1S/C10H14F3N3S/c1-5-6(2)15-9(16-7(5)3)17-8(4-14)10(11,12)13/h8H,4,14H2,1-3H3
InChIKeyKMWVWTBTKVZBEY-UHFFFAOYSA-N
XLogP2.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine (CID 65038914) is 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is Cc1nc(SC(CN)C(F)(F)F)nc(C)c1C.
What is the InChIKey of 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
The InChIKey is KMWVWTBTKVZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-5-6(2)15-9(16-7(5)3)17-8(4-14)10(11,12)13/h8H,4,14H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine?
3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 65038914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).