1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide

C15H13BrN4O2 — CID 168698584

IUPAC1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2nccc(-c3ccc(Br)cc3)n2)C1
InChIInChI=1S/C15H13BrN4O2/c16-11-3-1-9(2-4-11)12-5-6-18-15(19-12)20-8-10(14(17)22)7-13(20)21/h1-6,10H,7-8H2,(H2,17,22)
InChIKeyBFKMZHBMVQQGSR-UHFFFAOYSA-N
MW361.20 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide

1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698584) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698584
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2nccc(-c3ccc(Br)cc3)n2)C1
InChIInChI=1S/C15H13BrN4O2/c16-11-3-1-9(2-4-11)12-5-6-18-15(19-12)20-8-10(14(17)22)7-13(20)21/h1-6,10H,7-8H2,(H2,17,22)
InChIKeyBFKMZHBMVQQGSR-UHFFFAOYSA-N
XLogP1.74
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704107
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698484
[1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674558
1-[4-(3-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
CID 168704108
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
4-ethynyl-1-(4-phenylpyrimidin-2-yl)pyrrolidin-2-one
CID 168502946
1-[4-(3-bromophenyl)pyrimidin-2-yl]-4-sulfanylpyrrolidin-2-one
CID 168710760
1-(3-amino-5-bromopyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698071
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 168698584) is 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2nccc(-c3ccc(Br)cc3)n2)C1.
What is the InChIKey of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BFKMZHBMVQQGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c16-11-3-1-9(2-4-11)12-5-6-18-15(19-12)20-8-10(14(17)22)7-13(20)21/h1-6,10H,7-8H2,(H2,17,22).
What are the key properties of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).