1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H16F3N5 — CID 134587658

IUPAC1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c2cnn(C)c2n1
InChIInChI=1S/C16H16F3N5/c1-9(11-4-6-12(7-5-11)16(17,18)19)21-14-13-8-20-24(3)15(13)23-10(2)22-14/h4-9H,1-3H3,(H,21,22,23)/t9-/m1/s1
InChIKeyXNZPHWRUVQOXID-SECBINFHSA-N
MW335.33 g/mol
LogP3.86
Rot. Bonds3

About 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 134587658) has the molecular formula C16H16F3N5 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID134587658
Molecular FormulaC16H16F3N5
Molecular Weight335.33 g/mol
Exact Mass335.14
IUPAC Name1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c2cnn(C)c2n1
InChIInChI=1S/C16H16F3N5/c1-9(11-4-6-12(7-5-11)16(17,18)19)21-14-13-8-20-24(3)15(13)23-10(2)22-14/h4-9H,1-3H3,(H,21,22,23)/t9-/m1/s1
InChIKeyXNZPHWRUVQOXID-SECBINFHSA-N
XLogP3.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 134587658) is 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XNZPHWRUVQOXID-SECBINFHSA-N. The full InChI is InChI=1S/C16H16F3N5/c1-9(11-4-6-12(7-5-11)16(17,18)19)21-14-13-8-20-24(3)15(13)23-10(2)22-14/h4-9H,1-3H3,(H,21,22,23)/t9-/m1/s1.
What are the key properties of 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 335.33 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 134587658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).