2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

C7H5ClN4O2 — CID 137315880

IUPAC2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2c(=O)[nH]c(Cl)nc2[nH]1
InChIInChI=1S/C7H5ClN4O2/c8-7-11-5-2(6(14)12-7)1-3(10-5)4(9)13/h1H,(H2,9,13)(H2,10,11,12,14)
InChIKeyBSGFKLJTSDALJC-UHFFFAOYSA-N
MW212.60 g/mol
LogP0.00
Rot. Bonds1

About 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 137315880) has the molecular formula C7H5ClN4O2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID137315880
Molecular FormulaC7H5ClN4O2
Molecular Weight212.60 g/mol
Exact Mass212.01
IUPAC Name2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2c(=O)[nH]c(Cl)nc2[nH]1
InChIInChI=1S/C7H5ClN4O2/c8-7-11-5-2(6(14)12-7)1-3(10-5)4(9)13/h1H,(H2,9,13)(H2,10,11,12,14)
InChIKeyBSGFKLJTSDALJC-UHFFFAOYSA-N
XLogP0.00
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-oxo-3,7-dihydropyrrolo[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

Related Compounds

2-methylsulfanyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 135741830
2,6-dichloro-3H-quinazolin-4-one
CID 135742281
2-amino-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 149158534
4-chloro-6-fluoro-1H-indole-2-carboxamide
CID 175458349
4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane
CID 143277550
6-chloro-5-iodo-1H-indole-2-carboxamide
CID 135396268
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
6-bromo-2-chloro-8-iodo-3H-quinazolin-4-one
CID 167343616
3H-benzo[e]indole-2-carboxamide
CID 69052139
4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-2-carboxamide
CID 118801169
4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 70932286
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 137315880) is 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1cc2c(=O)[nH]c(Cl)nc2[nH]1.
What is the InChIKey of 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BSGFKLJTSDALJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2/c8-7-11-5-2(6(14)12-7)1-3(10-5)4(9)13/h1H,(H2,9,13)(H2,10,11,12,14).
What are the key properties of 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 212.60 g/mol, XLogP of 0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 137315880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).