1,3,6-trimethylpyrazolo[3,4-d]pyrimidine

C8H10N4 — CID 58861824

IUPAC1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2c(C)nn(C)c2n1
InChIInChI=1S/C8H10N4/c1-5-7-4-9-6(2)10-8(7)12(3)11-5/h4H,1-3H3
InChIKeyBDBBFEBCNHBSMQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.98
Rot. Bonds

About 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine

1,3,6-trimethylpyrazolo[3,4-d]pyrimidine (PubChem CID 58861824) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
PubChem CID58861824
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1,3,6-trimethylpyrazolo[3,4-d]pyrimidine
SMILESCc1ncc2c(C)nn(C)c2n1
InChIInChI=1S/C8H10N4/c1-5-7-4-9-6(2)10-8(7)12(3)11-5/h4H,1-3H3
InChIKeyBDBBFEBCNHBSMQ-UHFFFAOYSA-N
XLogP0.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

(1,3-dimethylpyrazolo[3,4-d]pyrimidin-6-yl)-methylidene-λ3-iodane
CID 148787095
ethane;1,3,6-trimethylpyrazolo[5,4-b]pyridine
CID 177008769
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)hydrazine
CID 55282105
1,3-dimethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
CID 137300644
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanol
CID 82036391
1,3,5-trimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 125424717
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
ethane;2,8,9-trimethylpurine
CID 142290936
trimethyl-(2-methylpurin-9-yl)silane
CID 58226929
N'-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 91486543

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine (CID 58861824) is 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine is Cc1ncc2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
The InChIKey is BDBBFEBCNHBSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-5-7-4-9-6(2)10-8(7)12(3)11-5/h4H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine?
1,3,6-trimethylpyrazolo[3,4-d]pyrimidine has a molecular weight of 162.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 58861824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).