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

C8H8N4O2 — CID 83877917

IUPAC4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1nc(N)c2c(C(=O)O)c[nH]c2n1
InChIInChI=1S/C8H8N4O2/c1-3-11-6(9)5-4(8(13)14)2-10-7(5)12-3/h2H,1H3,(H,13,14)(H3,9,10,11,12)
InChIKeySFHXAHCNYAAZRK-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.55
Rot. Bonds1

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

4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 83877917) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID83877917
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
SMILESCc1nc(N)c2c(C(=O)O)c[nH]c2n1
InChIInChI=1S/C8H8N4O2/c1-3-11-6(9)5-4(8(13)14)2-10-7(5)12-3/h2H,1H3,(H,13,14)(H3,9,10,11,12)
InChIKeySFHXAHCNYAAZRK-UHFFFAOYSA-N
XLogP0.55
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid (CID 83877917) is 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is Cc1nc(N)c2c(C(=O)O)c[nH]c2n1.
What is the InChIKey of 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is SFHXAHCNYAAZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-3-11-6(9)5-4(8(13)14)2-10-7(5)12-3/h2H,1H3,(H,13,14)(H3,9,10,11,12).
What are the key properties of 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid?
4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83877917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).