N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C24H33N5O5 — CID 55556258

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O5/c1-5-9-28-21(25)20(22(31)26-24(28)33)27(10-11-34-4)23(32)17-13-19(30)29(14-17)18-8-6-7-16(12-18)15(2)3/h6-8,12,15,17H,5,9-11,13-14,25H2,1-4H3,(H,26,31,33)
InChIKeyHAYFJRQTDCYWHY-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.68
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 55556258) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID55556258
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C24H33N5O5/c1-5-9-28-21(25)20(22(31)26-24(28)33)27(10-11-34-4)23(32)17-13-19(30)29(14-17)18-8-6-7-16(12-18)15(2)3/h6-8,12,15,17H,5,9-11,13-14,25H2,1-4H3,(H,26,31,33)
InChIKeyHAYFJRQTDCYWHY-UHFFFAOYSA-N
XLogP1.68
TPSA130.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-cyclopropyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 55365658
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049701
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-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
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 39911259
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42916348
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22108588
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 26183567
(3S)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 26183566
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 26186059
(2S)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 9094391

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 55556258) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)C2CC(=O)N(c3cccc(C(C)C)c3)C2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HAYFJRQTDCYWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-5-9-28-21(25)20(22(31)26-24(28)33)27(10-11-34-4)23(32)17-13-19(30)29(14-17)18-8-6-7-16(12-18)15(2)3/h6-8,12,15,17H,5,9-11,13-14,25H2,1-4H3,(H,26,31,33).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55556258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).