6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C11H12F3N3 — CID 20546271

IUPAC6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16-10(15)17-9/h1-4,9H,5-6H2,(H3,15,16,17)
InChIKeyLPWYQAGZCCMQIO-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.05
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 20546271) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID20546271
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NCCC(c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16-10(15)17-9/h1-4,9H,5-6H2,(H3,15,16,17)
InChIKeyLPWYQAGZCCMQIO-UHFFFAOYSA-N
XLogP2.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 3061021
N-[3-(Pyrrolidin-1-yl)propyl]-N'-{[4-(trifluoromethyl)phenyl]methyl}guanidine
CID 9799197
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
Methyl((1-(4-(trifluoromethyl)phenyl)ethyl))amine
CID 21251050
2-Benzhydryliminoimidazolidine
CID 12503392
6-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 13034515
2-[4-(Trifluoromethyl)phenyl]piperidine
CID 3911556
4-aminobutyl-N'-(4-fluorobenzyl)guanidine
CID 10084760
2-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 101477526
Methyl((1-(4-(trifluoromethyl)phenyl)ethyl))amine hydrochloride
CID 155822252
4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
N-cyclopentyl-6-[4-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrazin-5-amine
CID 23624338

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 20546271) is 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NCCC(c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is LPWYQAGZCCMQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16-10(15)17-9/h1-4,9H,5-6H2,(H3,15,16,17).
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 243.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 20546271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).