6-(trifluoromethyl)pyrimidin-4-amine

C5H4F3N3 — CID 22385756

IUPAC6-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
InChIKeyFIAIKJQZLXLGCR-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.08
Rot. Bonds

About 6-(trifluoromethyl)pyrimidin-4-amine

6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 22385756) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID22385756
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC Name6-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
InChIKeyFIAIKJQZLXLGCR-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

2-Amino-4-methylpyrimidine
CID 7939
2,6-Dimethyl-4-aminopyrimidine
CID 68039
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
2-Chloro-6-methylpyrimidin-4-amine
CID 312629
2-Hydrazino-4-(trifluoromethyl)pyrimidine
CID 1268079
6-Methylpyrimidin-4-amine
CID 572852
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
4-Bromo-6-(trifluoromethyl)pyrimidine
CID 11264639
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
2-Fluoro-4-methylpyrimidine
CID 17804394
6-Methyl-2,4-pyrimidinediamine
CID 229743
Pyrimidine, 4-(dimethylamino)-6-methyl-
CID 3062896

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(trifluoromethyl)pyrimidin-4-amine (CID 22385756) is 6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FIAIKJQZLXLGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11).
What are the key properties of 6-(trifluoromethyl)pyrimidin-4-amine?
6-(trifluoromethyl)pyrimidin-4-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 6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22385756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).