2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H14F3N3S — CID 55092304

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1cnc(SC(C)CNCC(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3S/c1-7-3-15-9(16-4-7)17-8(2)5-14-6-10(11,12)13/h3-4,8,14H,5-6H2,1-2H3
InChIKeyZFSRONPHLZHXGZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.42
Rot. Bonds5

About 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55092304) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55092304
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1cnc(SC(C)CNCC(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3S/c1-7-3-15-9(16-4-7)17-8(2)5-14-6-10(11,12)13/h3-4,8,14H,5-6H2,1-2H3
InChIKeyZFSRONPHLZHXGZ-UHFFFAOYSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55092304) is 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1cnc(SC(C)CNCC(F)(F)F)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZFSRONPHLZHXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-7-3-15-9(16-4-7)17-8(2)5-14-6-10(11,12)13/h3-4,8,14H,5-6H2,1-2H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55092304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).