2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

C7H8F3N3S — CID 19621494

IUPAC2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
SMILESNCCSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5-1-3-12-6(13-5)14-4-2-11/h1,3H,2,4,11H2
InChIKeyLLIIFLKKGNBYQX-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.55
Rot. Bonds3

About 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine (PubChem CID 19621494) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
PubChem CID19621494
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
SMILESNCCSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)5-1-3-12-6(13-5)14-4-2-11/h1,3H,2,4,11H2
InChIKeyLLIIFLKKGNBYQX-UHFFFAOYSA-N
XLogP1.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
4-Methyl-2-(methylsulfanyl)pyrimidine
CID 821261
2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
N-isopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
4-(Trifluoromethyl)pyrimidine
CID 15074799
Pyrimidine-4-methanethiol, hydrochloride
CID 3088801
4-(Difluoromethyl)pyrimidin-2-amine
CID 84649004
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 18158504
N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 72929016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The IUPAC name of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine (CID 19621494) is 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine.
What is the SMILES notation for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The canonical SMILES for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine is NCCSc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The InChIKey is LLIIFLKKGNBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)5-1-3-12-6(13-5)14-4-2-11/h1,3H,2,4,11H2.
What are the key properties of 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine has a molecular weight of 223.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine is sourced from PubChem (CID 19621494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).