4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C7H7N5O — CID 5475039

IUPAC4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H7N5O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H3,8,10,11,12)
InChIKeyMHQQRXFBIOPXIF-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.36
Rot. Bonds1

About 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 5475039) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID5475039
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c2ncnc(N)c12
InChIInChI=1S/C7H7N5O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H3,8,10,11,12)
InChIKeyMHQQRXFBIOPXIF-UHFFFAOYSA-N
XLogP-0.36
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-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 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 5475039) is 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is NC(=O)c1c[nH]c2ncnc(N)c12.
What is the InChIKey of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MHQQRXFBIOPXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H3,8,10,11,12).
What are the key properties of 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 177.17 g/mol, XLogP of -0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 5475039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).