3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide

C19H32N4O2 — CID 46992500

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC(CN2CCCC2)C(C)(C)C)c(=O)n1
InChIInChI=1S/C19H32N4O2/c1-14-12-15(2)23(18(25)20-14)11-8-17(24)21-16(19(3,4)5)13-22-9-6-7-10-22/h12,16H,6-11,13H2,1-5H3,(H,21,24)
InChIKeyBVJBZTSTYXCGOV-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.88
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide (PubChem CID 46992500) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide
PubChem CID46992500
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC(CN2CCCC2)C(C)(C)C)c(=O)n1
InChIInChI=1S/C19H32N4O2/c1-14-12-15(2)23(18(25)20-14)11-8-17(24)21-16(19(3,4)5)13-22-9-6-7-10-22/h12,16H,6-11,13H2,1-5H3,(H,21,24)
InChIKeyBVJBZTSTYXCGOV-UHFFFAOYSA-N
XLogP1.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.88
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
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 56901883
(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
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
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]propanamide
CID 52389493
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(2R)-3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 52391591

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide (CID 46992500) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide is Cc1cc(C)n(CCC(=O)NC(CN2CCCC2)C(C)(C)C)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide?
The InChIKey is BVJBZTSTYXCGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-12-15(2)23(18(25)20-14)11-8-17(24)21-16(19(3,4)5)13-22-9-6-7-10-22/h12,16H,6-11,13H2,1-5H3,(H,21,24).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)propanamide is sourced from PubChem (CID 46992500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).