5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C7H6N4O — CID 89303219

IUPAC5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)C1=Nc2ncncc2C1
InChIInChI=1S/C7H6N4O/c8-6(12)5-1-4-2-9-3-10-7(4)11-5/h2-3H,1H2,(H2,8,12)
InChIKeyFYCONNCGUQHMRE-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.41
Rot. Bonds1

About 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 89303219) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID89303219
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)C1=Nc2ncncc2C1
InChIInChI=1S/C7H6N4O/c8-6(12)5-1-4-2-9-3-10-7(4)11-5/h2-3H,1H2,(H2,8,12)
InChIKeyFYCONNCGUQHMRE-UHFFFAOYSA-N
XLogP-0.41
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide 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 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 89303219) is 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is NC(=O)C1=Nc2ncncc2C1.
What is the InChIKey of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FYCONNCGUQHMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-6(12)5-1-4-2-9-3-10-7(4)11-5/h2-3H,1H2,(H2,8,12).
What are the key properties of 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 162.15 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 89303219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).