6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C10H15N3 — CID 59332229

IUPAC6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)(C)N1Cc2cncnc2C1
InChIInChI=1S/C10H15N3/c1-10(2,3)13-5-8-4-11-7-12-9(8)6-13/h4,7H,5-6H2,1-3H3
InChIKeyOCYISHFTGVWVGO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.59
Rot. Bonds

About 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 59332229) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID59332229
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCC(C)(C)N1Cc2cncnc2C1
InChIInChI=1S/C10H15N3/c1-10(2,3)13-5-8-4-11-7-12-9(8)6-13/h4,7H,5-6H2,1-3H3
InChIKeyOCYISHFTGVWVGO-UHFFFAOYSA-N
XLogP1.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-5,7-dihydropyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 59332229) is 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CC(C)(C)N1Cc2cncnc2C1.
What is the InChIKey of 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is OCYISHFTGVWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2,3)13-5-8-4-11-7-12-9(8)6-13/h4,7H,5-6H2,1-3H3.
What are the key properties of 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 59332229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).