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

C17H26N4O3 — CID 45208527

IUPAC1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(C(C)(C)C)C2)c(=O)n1
InChIInChI=1S/C17H26N4O3/c1-11-8-12(2)20(16(24)19-11)7-6-18-15(23)13-9-14(22)21(10-13)17(3,4)5/h8,13H,6-7,9-10H2,1-5H3,(H,18,23)
InChIKeyMJPAJIUJRXWPNZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.62
Rot. Bonds4

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

1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 45208527) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID45208527
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CC(=O)N(C(C)(C)C)C2)c(=O)n1
InChIInChI=1S/C17H26N4O3/c1-11-8-12(2)20(16(24)19-11)7-6-18-15(23)13-9-14(22)21(10-13)17(3,4)5/h8,13H,6-7,9-10H2,1-5H3,(H,18,23)
InChIKeyMJPAJIUJRXWPNZ-UHFFFAOYSA-N
XLogP0.62
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.62
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-(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
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
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50978045
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide
CID 52389491

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 45208527) is 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CC(=O)N(C(C)(C)C)C2)c(=O)n1.
What is the InChIKey of 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MJPAJIUJRXWPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-8-12(2)20(16(24)19-11)7-6-18-15(23)13-9-14(22)21(10-13)17(3,4)5/h8,13H,6-7,9-10H2,1-5H3,(H,18,23).
What are the key properties of 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45208527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).