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

C9H9BrN4O2 — CID 168698124

IUPAC1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncncc2Br)C1
InChIInChI=1S/C9H9BrN4O2/c10-6-2-12-4-13-9(6)14-3-5(8(11)16)1-7(14)15/h2,4-5H,1,3H2,(H2,11,16)
InChIKeyIEWLSZBQVVTIEN-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.08
Rot. Bonds2

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

1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698124) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698124
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ncncc2Br)C1
InChIInChI=1S/C9H9BrN4O2/c10-6-2-12-4-13-9(6)14-3-5(8(11)16)1-7(14)15/h2,4-5H,1,3H2,(H2,11,16)
InChIKeyIEWLSZBQVVTIEN-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

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Related Compounds

1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 168698103
S-[1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706952
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108
methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695356
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-(3,5-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696816
5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168698074

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 168698124) is 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ncncc2Br)C1.
What is the InChIKey of 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IEWLSZBQVVTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c10-6-2-12-4-13-9(6)14-3-5(8(11)16)1-7(14)15/h2,4-5H,1,3H2,(H2,11,16).
What are the key properties of 1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(5-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-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).