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

C8H7N3O2 — CID 151076483

IUPAC6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
SMILESCc1[nH]c2cncnc2c1C(=O)O
InChIInChI=1S/C8H7N3O2/c1-4-6(8(12)13)7-5(11-4)2-9-3-10-7/h2-3,11H,1H3,(H,12,13)
InChIKeyMJFJKTGDMDBSMR-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.96
Rot. Bonds1

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

6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 151076483) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID151076483
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
SMILESCc1[nH]c2cncnc2c1C(=O)O
InChIInChI=1S/C8H7N3O2/c1-4-6(8(12)13)7-5(11-4)2-9-3-10-7/h2-3,11H,1H3,(H,12,13)
InChIKeyMJFJKTGDMDBSMR-UHFFFAOYSA-N
XLogP0.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2S)-2-hydroxypropanoyl]amino]cyclohexyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 142738199
6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 83680885
N,N-dimethyl-1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methanamine
CID 119084586
7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 58957259
ethane;3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159886415
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
CID 174559146
5H-pyrrolo[3,2-d]pyrimidin-7-ol
CID 68714083
2-methyl-1H-imidazole-5-carboxylic acid;dihydrate
CID 69419539
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
carbonic acid;5H-pyrrolo[3,2-d]pyrimidine
CID 174832264
2-methyl-4-(pyrimidine-5-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 102921653

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (CID 151076483) is 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid is Cc1[nH]c2cncnc2c1C(=O)O.
What is the InChIKey of 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is MJFJKTGDMDBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-6(8(12)13)7-5(11-4)2-9-3-10-7/h2-3,11H,1H3,(H,12,13).
What are the key properties of 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid?
6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 151076483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).