3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

C9H11N3O2 — CID 10241692

IUPAC3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c2cc[nH]c2c1=O
InChIInChI=1S/C9H11N3O2/c1-2-5-12-8(13)7-6(3-4-10-7)11-9(12)14/h3-4,10H,2,5H2,1H3,(H,11,14)
InChIKeyGGZLRERBMNCFJH-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.43
Rot. Bonds2

About 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10241692) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10241692
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c2cc[nH]c2c1=O
InChIInChI=1S/C9H11N3O2/c1-2-5-12-8(13)7-6(3-4-10-7)11-9(12)14/h3-4,10H,2,5H2,1H3,(H,11,14)
InChIKeyGGZLRERBMNCFJH-UHFFFAOYSA-N
XLogP0.43
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione 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 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10241692) is 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c2cc[nH]c2c1=O.
What is the InChIKey of 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is GGZLRERBMNCFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-5-12-8(13)7-6(3-4-10-7)11-9(12)14/h3-4,10H,2,5H2,1H3,(H,11,14).
What are the key properties of 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 193.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10241692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).