1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H23N7 — CID 70757940

IUPAC1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCC2(Cn3ccnc3C)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H23N7/c1-11-14-15(20-12(2)21-16(14)23(4)22-11)19-9-17(5-6-17)10-24-8-7-18-13(24)3/h7-8H,5-6,9-10H2,1-4H3,(H,19,20,21)
InChIKeyJUHCFRWCIWSYLX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.38
Rot. Bonds5

About 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70757940) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70757940
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCC2(Cn3ccnc3C)CC2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H23N7/c1-11-14-15(20-12(2)21-16(14)23(4)22-11)19-9-17(5-6-17)10-24-8-7-18-13(24)3/h7-8H,5-6,9-10H2,1-4H3,(H,19,20,21)
InChIKeyJUHCFRWCIWSYLX-UHFFFAOYSA-N
XLogP2.38
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]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 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70757940) is 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NCC2(Cn3ccnc3C)CC2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JUHCFRWCIWSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-11-14-15(20-12(2)21-16(14)23(4)22-11)19-9-17(5-6-17)10-24-8-7-18-13(24)3/h7-8H,5-6,9-10H2,1-4H3,(H,19,20,21).
What are the key properties of 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70757940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).