N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide

C15H24N4O — CID 110244182

IUPACN,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ncc(CN2CCC(C(=O)N(C)C)C2)cn1
InChIInChI=1S/C15H24N4O/c1-11(2)14-16-7-12(8-17-14)9-19-6-5-13(10-19)15(20)18(3)4/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyXICDSVKCZKFQPF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds4

About N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide

N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110244182) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110244182
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)c1ncc(CN2CCC(C(=O)N(C)C)C2)cn1
InChIInChI=1S/C15H24N4O/c1-11(2)14-16-7-12(8-17-14)9-19-6-5-13(10-19)15(20)18(3)4/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKeyXICDSVKCZKFQPF-UHFFFAOYSA-N
XLogP1.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 92581382
N,N-dimethyl-1-[[4-(methylaminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 67217657
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide
CID 92633470
(8aR)-2-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 99937780
tert-butyl N-[[4-[[(3S)-3-(dimethylcarbamoyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
CID 124565876
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
[(3R,4R)-4-(piperidin-1-ylmethyl)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70724361
N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
N,N-dimethyl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 59603411
(3S,5S)-N-(4-fluorophenyl)-1-methyl-5-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 92581391
1-benzyl-N-(3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridin-8-ylmethyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 58080534

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide (CID 110244182) is N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide is CC(C)c1ncc(CN2CCC(C(=O)N(C)C)C2)cn1.
What is the InChIKey of N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XICDSVKCZKFQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)14-16-7-12(8-17-14)9-19-6-5-13(10-19)15(20)18(3)4/h7-8,11,13H,5-6,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide?
N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110244182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).