2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine

C11H12F3N5 — CID 106773470

IUPAC2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1nn(-c2cc(N)nc(C(F)(F)F)n2)c(C)c1C
InChIInChI=1S/C11H12F3N5/c1-5-6(2)18-19(7(5)3)9-4-8(15)16-10(17-9)11(12,13)14/h4H,1-3H3,(H2,15,16,17)
InChIKeyGBHRUNCUTUYHFE-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.19
Rot. Bonds1

About 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine

2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 106773470) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID106773470
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1nn(-c2cc(N)nc(C(F)(F)F)n2)c(C)c1C
InChIInChI=1S/C11H12F3N5/c1-5-6(2)18-19(7(5)3)9-4-8(15)16-10(17-9)11(12,13)14/h4H,1-3H3,(H2,15,16,17)
InChIKeyGBHRUNCUTUYHFE-UHFFFAOYSA-N
XLogP2.19
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 102716260
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
6-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrimidine-2,4-diamine
CID 80856780
2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80965254
[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902171
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 113378224
6-(3,3-dimethylmorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771089
[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
CID 113378780
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine (CID 106773470) is 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1nn(-c2cc(N)nc(C(F)(F)F)n2)c(C)c1C.
What is the InChIKey of 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is GBHRUNCUTUYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-5-6(2)18-19(7(5)3)9-4-8(15)16-10(17-9)11(12,13)14/h4H,1-3H3,(H2,15,16,17).
What are the key properties of 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine?
2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 271.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 106773470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).