2-(trifluoromethyl)pyrimidin-5-amine

C5H4F3N3 — CID 14290906

IUPAC2-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H,9H2
InChIKeyLOOGTXVQDBMCOL-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.08
Rot. Bonds

About 2-(trifluoromethyl)pyrimidin-5-amine

2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 14290906) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID14290906
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC Name2-(trifluoromethyl)pyrimidin-5-amine
SMILESNc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H,9H2
InChIKeyLOOGTXVQDBMCOL-UHFFFAOYSA-N
XLogP1.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidin-5-amine
CID 344373
Pyrimidine-2,4,5-triamine
CID 148506
4,5-Diaminopyrimidine
CID 83703
2-Chloropyrimidine-4,5-diamine
CID 84565
Pyrimidine-2,5-diamine
CID 229075
2-(Trifluoromethyl)pyrimidin-4-amine
CID 244056
5-Amino-4-chloropyrimidine
CID 13404541
2-Pyrimidinemethanamine
CID 4658047
N,N-dimethylpyrimidin-5-amine
CID 578965
2-Methylpyrimidin-5-amine
CID 295764
2-Methoxypyrimidin-5-amine
CID 352904
5-Amino-2-(methylthio)pyrimidine
CID 12215991

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-(trifluoromethyl)pyrimidin-5-amine (CID 14290906) is 2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(trifluoromethyl)pyrimidin-5-amine is Nc1cnc(C(F)(F)F)nc1.
What is the InChIKey of 2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is LOOGTXVQDBMCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H,9H2.
What are the key properties of 2-(trifluoromethyl)pyrimidin-5-amine?
2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 163.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 14290906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).