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

C15H15F3N6 — CID 70705271

IUPAC2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(C(F)(F)F)nc(CNc2cc(C)nc3cc(C)nn23)n1
InChIInChI=1S/C15H15F3N6/c1-8-4-11(15(16,17)18)22-12(20-8)7-19-13-5-9(2)21-14-6-10(3)23-24(13)14/h4-6,19H,7H2,1-3H3
InChIKeyJEBFFWKIKGKRMU-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.08
Rot. Bonds3

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

2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70705271) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70705271
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(C(F)(F)F)nc(CNc2cc(C)nc3cc(C)nn23)n1
InChIInChI=1S/C15H15F3N6/c1-8-4-11(15(16,17)18)22-12(20-8)7-19-13-5-9(2)21-14-6-10(3)23-24(13)14/h4-6,19H,7H2,1-3H3
InChIKeyJEBFFWKIKGKRMU-UHFFFAOYSA-N
XLogP3.08
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70705271) is 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-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)nc3cc(C)nn23)n1.
What is the InChIKey of 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JEBFFWKIKGKRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6/c1-8-4-11(15(16,17)18)22-12(20-8)7-19-13-5-9(2)21-14-6-10(3)23-24(13)14/h4-6,19H,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70705271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).