4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

C7H7N5O2 — CID 83878267

IUPAC4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
SMILESNc1[nH]c2c(N)ncnc2c1C(=O)O
InChIInChI=1S/C7H7N5O2/c8-5-2(7(13)14)3-4(12-5)6(9)11-1-10-3/h1,12H,8H2,(H,13,14)(H2,9,10,11)
InChIKeyNSBKQLLVAMXFDB-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.18
Rot. Bonds1

About 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid

4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 83878267) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID83878267
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
SMILESNc1[nH]c2c(N)ncnc2c1C(=O)O
InChIInChI=1S/C7H7N5O2/c8-5-2(7(13)14)3-4(12-5)6(9)11-1-10-3/h1,12H,8H2,(H,13,14)(H2,9,10,11)
InChIKeyNSBKQLLVAMXFDB-UHFFFAOYSA-N
XLogP-0.18
TPSA130.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (CID 83878267) is 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid is Nc1[nH]c2c(N)ncnc2c1C(=O)O.
What is the InChIKey of 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is NSBKQLLVAMXFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-5-2(7(13)14)3-4(12-5)6(9)11-1-10-3/h1,12H,8H2,(H,13,14)(H2,9,10,11).
What are the key properties of 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 193.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 83878267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).