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

C14H14F3N7 — CID 72881710

IUPAC1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CNc2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C14H14F3N7/c1-7-4-10(14(15,16)17)23-11(20-7)6-18-12-9-5-19-24(3)13(9)22-8(2)21-12/h4-5H,6H2,1-3H3,(H,18,21,22)
InChIKeyNXGCLVKEUZHGRW-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.40
Rot. Bonds3

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

1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 72881710) has the molecular formula C14H14F3N7 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID72881710
Molecular FormulaC14H14F3N7
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC Name1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(C(F)(F)F)nc(CNc2nc(C)nc3c2cnn3C)n1
InChIInChI=1S/C14H14F3N7/c1-7-4-10(14(15,16)17)23-11(20-7)6-18-12-9-5-19-24(3)13(9)22-8(2)21-12/h4-5H,6H2,1-3H3,(H,18,21,22)
InChIKeyNXGCLVKEUZHGRW-UHFFFAOYSA-N
XLogP2.40
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 72881710) is 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(C(F)(F)F)nc(CNc2nc(C)nc3c2cnn3C)n1.
What is the InChIKey of 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NXGCLVKEUZHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7/c1-7-4-10(14(15,16)17)23-11(20-7)6-18-12-9-5-19-24(3)13(9)22-8(2)21-12/h4-5H,6H2,1-3H3,(H,18,21,22).
What are the key properties of 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 337.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 72881710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).