N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C19H23BrN6O2 — CID 122319738

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)c(N(C)C)n1
InChIInChI=1S/C19H23BrN6O2/c1-24(2)17-15(10-21-19(23-17)25(3)4)22-18(28)12-8-16(27)26(11-12)14-7-5-6-13(20)9-14/h5-7,9-10,12H,8,11H2,1-4H3,(H,22,28)
InChIKeyMNQMZCZAXGUZNX-UHFFFAOYSA-N
MW447.34 g/mol
LogP2.36
Rot. Bonds5

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

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122319738) has the molecular formula C19H23BrN6O2 and a molecular weight of 447.34 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122319738
Molecular FormulaC19H23BrN6O2
Molecular Weight447.34 g/mol
Exact Mass446.11
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ncc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)c(N(C)C)n1
InChIInChI=1S/C19H23BrN6O2/c1-24(2)17-15(10-21-19(23-17)25(3)4)22-18(28)12-8-16(27)26(11-12)14-7-5-6-13(20)9-14/h5-7,9-10,12H,8,11H2,1-4H3,(H,22,28)
InChIKeyMNQMZCZAXGUZNX-UHFFFAOYSA-N
XLogP2.36
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromophenyl)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122319995
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122319413
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
1-(3-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952988
1-(3-bromophenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 42952846
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
(3S)-1-(3-bromophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122287355
1-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952985
1-(3-bromophenyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 55661485

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 122319738) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide is CN(C)c1ncc(NC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MNQMZCZAXGUZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN6O2/c1-24(2)17-15(10-21-19(23-17)25(3)4)22-18(28)12-8-16(27)26(11-12)14-7-5-6-13(20)9-14/h5-7,9-10,12H,8,11H2,1-4H3,(H,22,28).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122319738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).