1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C15H16F3N7 — CID 56910284

IUPAC1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CCNc2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C15H16F3N7/c1-8-6-11(15(16,17)18)24-12(21-8)4-5-19-13-10-7-20-25(3)14(10)23-9(2)22-13/h6-7H,4-5H2,1-3H3,(H,19,22,23)
InChIKeyAQGAEIHJDNTMCA-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.44
Rot. Bonds4

About 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56910284) has the molecular formula C15H16F3N7 and a molecular weight of 351.34 g/mol. Its IUPAC name is 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56910284
Molecular FormulaC15H16F3N7
Molecular Weight351.34 g/mol
Exact Mass351.14
IUPAC Name1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CCNc2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C15H16F3N7/c1-8-6-11(15(16,17)18)24-12(21-8)4-5-19-13-10-7-20-25(3)14(10)23-9(2)22-13/h6-7H,4-5H2,1-3H3,(H,19,22,23)
InChIKeyAQGAEIHJDNTMCA-UHFFFAOYSA-N
XLogP2.44
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-piperidin-4-yl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168281071
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
N-methyl-1-(piperidin-3-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68212528
N-methyl-1-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 70681768
5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 900194
3-ethyl-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317959
2,3,5-trimethyl-N-{[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
CID 56885356
6-ethyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56901030
N-methyl-5-{[methyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)amino]methyl}-2-pyrimidinamine dihydrochloride
CID 56916230
2,5-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70705271
N-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70755138
1,6-dimethyl-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 72881710

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 56910284) is 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(C(F)(F)F)nc(CCNc2nc(C)nc3c2cnn3C)n1.
What is the InChIKey of 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AQGAEIHJDNTMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7/c1-8-6-11(15(16,17)18)24-12(21-8)4-5-19-13-10-7-20-25(3)14(10)23-9(2)22-13/h6-7H,4-5H2,1-3H3,(H,19,22,23).
What are the key properties of 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 351.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56910284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).