7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

C9H8N4O3 — CID 59802106

IUPAC7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
SMILESCNC(=O)c1c[nH]c2c(C(=O)O)ncnc12
InChIInChI=1S/C9H8N4O3/c1-10-8(14)4-2-11-6-5(4)12-3-13-7(6)9(15)16/h2-3,11H,1H3,(H,10,14)(H,15,16)
InChIKeyPAHBGEZZRRUPOM-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.02
Rot. Bonds2

About 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 59802106) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID59802106
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
SMILESCNC(=O)c1c[nH]c2c(C(=O)O)ncnc12
InChIInChI=1S/C9H8N4O3/c1-10-8(14)4-2-11-6-5(4)12-3-13-7(6)9(15)16/h2-3,11H,1H3,(H,10,14)(H,15,16)
InChIKeyPAHBGEZZRRUPOM-UHFFFAOYSA-N
XLogP0.02
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid (CID 59802106) is 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid is CNC(=O)c1c[nH]c2c(C(=O)O)ncnc12.
What is the InChIKey of 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is PAHBGEZZRRUPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-10-8(14)4-2-11-6-5(4)12-3-13-7(6)9(15)16/h2-3,11H,1H3,(H,10,14)(H,15,16).
What are the key properties of 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 59802106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).