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

C10H13N3O2 — CID 3043223

IUPAC3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2cc[nH]c2c1=O
InChIInChI=1S/C10H13N3O2/c1-2-3-6-13-9(14)8-7(4-5-11-8)12-10(13)15/h4-5,11H,2-3,6H2,1H3,(H,12,15)
InChIKeyOWJRKRZXCAMPBO-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.82
Rot. Bonds3

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

3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 3043223) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID3043223
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2cc[nH]c2c1=O
InChIInChI=1S/C10H13N3O2/c1-2-3-6-13-9(14)8-7(4-5-11-8)12-10(13)15/h4-5,11H,2-3,6H2,1H3,(H,12,15)
InChIKeyOWJRKRZXCAMPBO-UHFFFAOYSA-N
XLogP0.82
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 3043223) is 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c2cc[nH]c2c1=O.
What is the InChIKey of 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OWJRKRZXCAMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-3-6-13-9(14)8-7(4-5-11-8)12-10(13)15/h4-5,11H,2-3,6H2,1H3,(H,12,15).
What are the key properties of 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 207.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3043223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).