N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

C24H30N4O5S — CID 16566521

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESNc1c(N(CCC2=CCCCC2)C(=O)C2CCS(=O)(=O)C2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H30N4O5S/c25-21-20(22(29)26-24(31)28(21)15-18-9-5-2-6-10-18)27(13-11-17-7-3-1-4-8-17)23(30)19-12-14-34(32,33)16-19/h2,5-7,9-10,19H,1,3-4,8,11-16,25H2,(H,26,29,31)
InChIKeyYFKPQZQZSBBPHJ-UHFFFAOYSA-N
MW486.59 g/mol
LogP1.83
Rot. Bonds7

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 16566521) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID16566521
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
SMILESNc1c(N(CCC2=CCCCC2)C(=O)C2CCS(=O)(=O)C2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C24H30N4O5S/c25-21-20(22(29)26-24(31)28(21)15-18-9-5-2-6-10-18)27(13-11-17-7-3-1-4-8-17)23(30)19-12-14-34(32,33)16-19/h2,5-7,9-10,19H,1,3-4,8,11-16,25H2,(H,26,29,31)
InChIKeyYFKPQZQZSBBPHJ-UHFFFAOYSA-N
XLogP1.83
TPSA135.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 8006026
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-2-phenylsulfanylacetamide
CID 26205678
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16550851
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-6-methylpyridine-2-carboxamide
CID 31948527
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-4-methylpentanamide
CID 26205681
2-(4-acetamidophenyl)sulfanyl-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 16550849
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-[2-(cyclohexen-1-yl)ethyl]amino]-N-prop-2-enylacetamide
CID 24617635
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
6-amino-1-benzyl-5-[(5-chlorothiadiazol-4-yl)methyl-[2-(cyclohexen-1-yl)ethyl]amino]pyrimidine-2,4-dione
CID 24617663
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 31496736
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-[2-(cyclohexen-1-yl)ethyl]amino]-N-(propan-2-ylcarbamoyl)acetamide
CID 24617642

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide (CID 16566521) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is Nc1c(N(CCC2=CCCCC2)C(=O)C2CCS(=O)(=O)C2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is YFKPQZQZSBBPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c25-21-20(22(29)26-24(31)28(21)15-18-9-5-2-6-10-18)27(13-11-17-7-3-1-4-8-17)23(30)19-12-14-34(32,33)16-19/h2,5-7,9-10,19H,1,3-4,8,11-16,25H2,(H,26,29,31).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 16566521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).