N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide

C24H34N6O2 — CID 110092483

IUPACN-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide
SMILESCC(=O)N1CCCC1c1nc(CN(C)C(=O)Cc2ccc(N(C)C)cc2)cc(N(C)C)n1
InChIInChI=1S/C24H34N6O2/c1-17(31)30-13-7-8-21(30)24-25-19(15-22(26-24)28(4)5)16-29(6)23(32)14-18-9-11-20(12-10-18)27(2)3/h9-12,15,21H,7-8,13-14,16H2,1-6H3
InChIKeyADZODCFVZCBWPP-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.49
Rot. Bonds7

About N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide

N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide (PubChem CID 110092483) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide
PubChem CID110092483
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC NameN-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide
SMILESCC(=O)N1CCCC1c1nc(CN(C)C(=O)Cc2ccc(N(C)C)cc2)cc(N(C)C)n1
InChIInChI=1S/C24H34N6O2/c1-17(31)30-13-7-8-21(30)24-25-19(15-22(26-24)28(4)5)16-29(6)23(32)14-18-9-11-20(12-10-18)27(2)3/h9-12,15,21H,7-8,13-14,16H2,1-6H3
InChIKeyADZODCFVZCBWPP-UHFFFAOYSA-N
XLogP2.49
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
CID 110259530
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 92638511
N-[[6-(dimethylamino)-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259598
N-[[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624317
1-[(2S)-2-[4-(dimethylamino)-6-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92638516
N-[[6-(dimethylamino)-2-[1-(3-methyl-1H-indole-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110092366
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92638531
N-[[2-[(2R)-1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624328
N-[[6-(dimethylamino)-2-[(2S)-1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624323
N-[[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 92638474
N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259592
N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624253

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide?
The IUPAC name of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide (CID 110092483) is N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide?
The canonical SMILES for N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide is CC(=O)N1CCCC1c1nc(CN(C)C(=O)Cc2ccc(N(C)C)cc2)cc(N(C)C)n1.
What is the InChIKey of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide?
The InChIKey is ADZODCFVZCBWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-17(31)30-13-7-8-21(30)24-25-19(15-22(26-24)28(4)5)16-29(6)23(32)14-18-9-11-20(12-10-18)27(2)3/h9-12,15,21H,7-8,13-14,16H2,1-6H3.
What are the key properties of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide?
N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide has a molecular weight of 438.58 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 110092483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).