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

C6H5N3O2 — CID 592097

IUPAC1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2[nH]ccc2[nH]1
InChIInChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
InChIKeyBSRITDQWGPSXPQ-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.46
Rot. Bonds

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

1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 592097) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID592097
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2[nH]ccc2[nH]1
InChIInChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
InChIKeyBSRITDQWGPSXPQ-UHFFFAOYSA-N
XLogP-0.46
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 592097) is 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2[nH]ccc2[nH]1.
What is the InChIKey of 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is BSRITDQWGPSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11).
What are the key properties of 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 151.12 g/mol, XLogP of -0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 592097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).