N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C17H26N4O3 — CID 50978045

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(CC(C)C)C2)c(=O)n1
InChIInChI=1S/C17H26N4O3/c1-11(2)9-20-10-14(8-15(20)22)16(23)18-5-6-21-13(4)7-12(3)19-17(21)24/h7,11,14H,5-6,8-10H2,1-4H3,(H,18,23)
InChIKeyMAOURRCBAAPNCK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.48
Rot. Bonds6

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50978045) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50978045
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(CC(C)C)C2)c(=O)n1
InChIInChI=1S/C17H26N4O3/c1-11(2)9-20-10-14(8-15(20)22)16(23)18-5-6-21-13(4)7-12(3)19-17(21)24/h7,11,14H,5-6,8-10H2,1-4H3,(H,18,23)
InChIKeyMAOURRCBAAPNCK-UHFFFAOYSA-N
XLogP0.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylpropyl)-2-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 100055639
6-tert-butyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 125173931
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154887087
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 56901883
1-(4-amino-2-imino-5-methylhex-3-enoyl)-N-ethylpyrrolidine-3-carboxamide
CID 173631286
(3S)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077633
(3R)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077635
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 45208527
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]propanamide
CID 46989095
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-{[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl}propanamide
CID 46990800
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2,2-dimethyl-1-(pyrrolidin-1-ylmethyl)propyl]propanamide
CID 46992500

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 50978045) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CC(=O)N(CC(C)C)C2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MAOURRCBAAPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(2)9-20-10-14(8-15(20)22)16(23)18-5-6-21-13(4)7-12(3)19-17(21)24/h7,11,14H,5-6,8-10H2,1-4H3,(H,18,23).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50978045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).