1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

C9H9BrN4O2 — CID 168698237

IUPAC1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Br)ncn2)C1
InChIInChI=1S/C9H9BrN4O2/c10-6-2-7(13-4-12-6)14-3-5(9(11)16)1-8(14)15/h2,4-5H,1,3H2,(H2,11,16)
InChIKeyMDXKQEBGEMLAFG-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.08
Rot. Bonds2

About 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698237) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698237
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(Br)ncn2)C1
InChIInChI=1S/C9H9BrN4O2/c10-6-2-7(13-4-12-6)14-3-5(9(11)16)1-8(14)15/h2,4-5H,1,3H2,(H2,11,16)
InChIKeyMDXKQEBGEMLAFG-UHFFFAOYSA-N
XLogP0.08
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-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

5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168698074
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696971
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(2,6-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698527
1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697887
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(2-bromo-5-chloro-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698278
5-oxo-1-(1H-1,2,4-triazol-5-yl)pyrrolidine-3-carboxamide
CID 168698653
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168698237) is 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(Br)ncn2)C1.
What is the InChIKey of 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MDXKQEBGEMLAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c10-6-2-7(13-4-12-6)14-3-5(9(11)16)1-8(14)15/h2,4-5H,1,3H2,(H2,11,16).
What are the key properties of 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).