5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine

C10H15N3 — CID 58845167

IUPAC5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC(C)(C)N1CCc2ncncc21
InChIInChI=1S/C10H15N3/c1-10(2,3)13-5-4-8-9(13)6-11-7-12-8/h6-7H,4-5H2,1-3H3
InChIKeyCQXABDVWOSJQRO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.64
Rot. Bonds

About 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine

5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine (PubChem CID 58845167) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
PubChem CID58845167
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine
SMILESCC(C)(C)N1CCc2ncncc21
InChIInChI=1S/C10H15N3/c1-10(2,3)13-5-4-8-9(13)6-11-7-12-8/h6-7H,4-5H2,1-3H3
InChIKeyCQXABDVWOSJQRO-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-6,7-dihydropyrrolo[3,2-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 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine (CID 58845167) is 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine is CC(C)(C)N1CCc2ncncc21.
What is the InChIKey of 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
The InChIKey is CQXABDVWOSJQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2,3)13-5-4-8-9(13)6-11-7-12-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine?
5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,7-dihydropyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 58845167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).