N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide

C18H29N5O2 — CID 110259530

IUPACN-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
SMILESCC(=O)N1CCCC1c1nc(CN(C)C(=O)C(C)C)cc(N(C)C)n1
InChIInChI=1S/C18H29N5O2/c1-12(2)18(25)22(6)11-14-10-16(21(4)5)20-17(19-14)15-8-7-9-23(15)13(3)24/h10,12,15H,7-9,11H2,1-6H3
InChIKeyHVSBMZBDMCDFMM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.84
Rot. Bonds5

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

N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide (PubChem CID 110259530) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
PubChem CID110259530
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide
SMILESCC(=O)N1CCCC1c1nc(CN(C)C(=O)C(C)C)cc(N(C)C)n1
InChIInChI=1S/C18H29N5O2/c1-12(2)18(25)22(6)11-14-10-16(21(4)5)20-17(19-14)15-8-7-9-23(15)13(3)24/h10,12,15H,7-9,11H2,1-6H3
InChIKeyHVSBMZBDMCDFMM-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-2-[4-(dimethylamino)phenyl]-N-methylacetamide
CID 110092483
N-[[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624317
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 92638511
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-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259598
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-(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-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259592
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92638531
N-[[6-(dimethylamino)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624254
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]-N,2-dimethylpropanamide?
The IUPAC name of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide (CID 110259530) is N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide is CC(=O)N1CCCC1c1nc(CN(C)C(=O)C(C)C)cc(N(C)C)n1.
What is the InChIKey of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide?
The InChIKey is HVSBMZBDMCDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12(2)18(25)22(6)11-14-10-16(21(4)5)20-17(19-14)15-8-7-9-23(15)13(3)24/h10,12,15H,7-9,11H2,1-6H3.
What are the key properties of N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide?
N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-acetylpyrrolidin-2-yl)-6-(dimethylamino)pyrimidin-4-yl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 110259530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).