1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one

C24H28N6O — CID 46974132

IUPAC1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one
SMILESCN(C)c1cc(CCNCc2ccc(N3CCCC3=O)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H28N6O/c1-29(2)22-16-19(27-24(28-22)21-6-3-4-13-26-21)12-14-25-17-18-8-10-20(11-9-18)30-15-5-7-23(30)31/h3-4,6,8-11,13,16,25H,5,7,12,14-15,17H2,1-2H3
InChIKeyOWKGINYOUWMYEF-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.06
Rot. Bonds8

About 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 46974132) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one
PubChem CID46974132
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one
SMILESCN(C)c1cc(CCNCc2ccc(N3CCCC3=O)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H28N6O/c1-29(2)22-16-19(27-24(28-22)21-6-3-4-13-26-21)12-14-25-17-18-8-10-20(11-9-18)30-15-5-7-23(30)31/h3-4,6,8-11,13,16,25H,5,7,12,14-15,17H2,1-2H3
InChIKeyOWKGINYOUWMYEF-UHFFFAOYSA-N
XLogP3.06
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-[4-[[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134714236
N-[[6-(dimethylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 92607033
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134707843
1-(3,5-dipyridin-2-ylphenyl)pyrrolidin-2-one
CID 172517347
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 109403367
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 28878132
N,N-dimethyl-3-[2-[[N'-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668338

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one (CID 46974132) is 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one is CN(C)c1cc(CCNCc2ccc(N3CCCC3=O)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is OWKGINYOUWMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-29(2)22-16-19(27-24(28-22)21-6-3-4-13-26-21)12-14-25-17-18-8-10-20(11-9-18)30-15-5-7-23(30)31/h3-4,6,8-11,13,16,25H,5,7,12,14-15,17H2,1-2H3.
What are the key properties of 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 416.53 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[6-(dimethylamino)-2-pyridin-2-ylpyrimidin-4-yl]ethylamino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 46974132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).