N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide

C24H33N5O4 — CID 42999835

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(Cc2ccccc2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O4/c1-4-5-11-28(20-21(25)29(13-16(2)3)24(33)26-22(20)31)23(32)18-12-19(30)27(15-18)14-17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15,25H2,1-3H3,(H,26,31,33)
InChIKeyFPWREKOOMTVVQA-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.96
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 42999835) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID42999835
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(Cc2ccccc2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O4/c1-4-5-11-28(20-21(25)29(13-16(2)3)24(33)26-22(20)31)23(32)18-12-19(30)27(15-18)14-17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15,25H2,1-3H3,(H,26,31,33)
InChIKeyFPWREKOOMTVVQA-UHFFFAOYSA-N
XLogP1.96
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24818202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 42999728
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43059528
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 25163328
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 26200543
(3S)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 25363761
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
(3S)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26871798
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30748197
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-oxo-N-pentyl-1-phenylpyrrolidine-3-carboxamide
CID 55611535
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 43024706

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide (CID 42999835) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN(C(=O)C1CC(=O)N(Cc2ccccc2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FPWREKOOMTVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-4-5-11-28(20-21(25)29(13-16(2)3)24(33)26-22(20)31)23(32)18-12-19(30)27(15-18)14-17-9-7-6-8-10-17/h6-10,16,18H,4-5,11-15,25H2,1-3H3,(H,26,31,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-benzyl-N-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42999835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).