7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine

C9H11N3 — CID 59593072

IUPAC7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1c[nH]c2cncnc12
InChIInChI=1S/C9H11N3/c1-6(2)7-3-11-8-4-10-5-12-9(7)8/h3-6,11H,1-2H3
InChIKeyOOQZPRFAHIPAHE-UHFFFAOYSA-N
MW161.21 g/mol
LogP2.08
Rot. Bonds1

About 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine

7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 59593072) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID59593072
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1c[nH]c2cncnc12
InChIInChI=1S/C9H11N3/c1-6(2)7-3-11-8-4-10-5-12-9(7)8/h3-6,11H,1-2H3
InChIKeyOOQZPRFAHIPAHE-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-propan-2-yl-5H-pyrrolo[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 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 59593072) is 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine is CC(C)c1c[nH]c2cncnc12.
What is the InChIKey of 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is OOQZPRFAHIPAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(2)7-3-11-8-4-10-5-12-9(7)8/h3-6,11H,1-2H3.
What are the key properties of 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 59593072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).