2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide

C7H6N4O3 — CID 57499717

IUPAC2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESNC(=O)c1c[nH]c2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C7H6N4O3/c8-5(12)2-1-9-4-3(2)10-7(14)11-6(4)13/h1,9H,(H2,8,12)(H2,10,11,13,14)
InChIKeyZJIBMXPNYDURPO-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.36
Rot. Bonds1

About 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide

2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 57499717) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID57499717
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESNC(=O)c1c[nH]c2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C7H6N4O3/c8-5(12)2-1-9-4-3(2)10-7(14)11-6(4)13/h1,9H,(H2,8,12)(H2,10,11,13,14)
InChIKeyZJIBMXPNYDURPO-UHFFFAOYSA-N
XLogP-1.36
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 57499717) is 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide is NC(=O)c1c[nH]c2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is ZJIBMXPNYDURPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c8-5(12)2-1-9-4-3(2)10-7(14)11-6(4)13/h1,9H,(H2,8,12)(H2,10,11,13,14).
What are the key properties of 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide?
2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 194.15 g/mol, XLogP of -1.36, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 57499717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).