2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H17F3N6 — CID 56885356

IUPAC2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(C(F)(F)F)nc(CNc2cc(C)nc3c(C)c(C)nn23)n1
InChIInChI=1S/C16H17F3N6/c1-8-5-12(16(17,18)19)23-13(21-8)7-20-14-6-9(2)22-15-10(3)11(4)24-25(14)15/h5-6,20H,7H2,1-4H3
InChIKeySGPOBRGILLKCKL-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.38
Rot. Bonds3

About 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56885356) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56885356
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC Name2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(C(F)(F)F)nc(CNc2cc(C)nc3c(C)c(C)nn23)n1
InChIInChI=1S/C16H17F3N6/c1-8-5-12(16(17,18)19)23-13(21-8)7-20-14-6-9(2)22-15-10(3)11(4)24-25(14)15/h5-6,20H,7H2,1-4H3
InChIKeySGPOBRGILLKCKL-UHFFFAOYSA-N
XLogP3.38
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N1,N1-diethyl-N4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pentane-1,4-diamine
CID 71596120
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24219695
5-Methyl-7-(4-(2-methylallyl)piperazin-1-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 42589501
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56718440
2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890277
1,6-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56910284
2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70705271
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708814
7-(4,4-Difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 70731236
7-(1,4-Diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 70732572
[rel-(1R,3R)-3-aminocyclopentyl](5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amine dihydrochloride
CID 70758296
(cis-4-Aminocyclohexyl)(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amine
CID 70772346

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56885356) is 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(C(F)(F)F)nc(CNc2cc(C)nc3c(C)c(C)nn23)n1.
What is the InChIKey of 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SGPOBRGILLKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6/c1-8-5-12(16(17,18)19)23-13(21-8)7-20-14-6-9(2)22-15-10(3)11(4)24-25(14)15/h5-6,20H,7H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56885356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).