N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide

C20H24N4O5S — CID 18572170

IUPACN-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(SCC(=O)NCC2CCCO2)n(C)c1=O
InChIInChI=1S/C20H24N4O5S/c1-24-19(27)14(18(26)23-15-7-3-4-8-16(15)28-2)11-22-20(24)30-12-17(25)21-10-13-6-5-9-29-13/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyPGSUIOWXYIBKGQ-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.43
Rot. Bonds8

About N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide

N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide (PubChem CID 18572170) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide
PubChem CID18572170
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC NameN-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(SCC(=O)NCC2CCCO2)n(C)c1=O
InChIInChI=1S/C20H24N4O5S/c1-24-19(27)14(18(26)23-15-7-3-4-8-16(15)28-2)11-22-20(24)30-12-17(25)21-10-13-6-5-9-29-13/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyPGSUIOWXYIBKGQ-UHFFFAOYSA-N
XLogP1.43
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-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-(2,5-dimethoxyphenyl)-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135543449
2-(5-Acetylamino-4,6-dioxo-1,4,5,6-tetrahydro-pyrimidin-2-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 648719
N-cyclohexyl-2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2155260
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2999941
N-(2-methoxy-5-methylphenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4046983
2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4064749
N-(2,5-dimethoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4197070
N-(5-chloro-2-methoxyphenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4384144
N-(2-Methoxyphenyl)-1-methyl-6-oxo-2-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-YL)ethyl]sulfanyl}-1,6-dihydropyrimidine-5-carboxamide
CID 16032217
N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
CID 16541010
6-keto-2-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]-N-(3-methoxyphenyl)-1-methyl-pyrimidine-5-carboxamide
CID 16813558
1-methyl-6-oxo-2-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-N-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 16832360

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide (CID 18572170) is N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide is COc1ccccc1NC(=O)c1cnc(SCC(=O)NCC2CCCO2)n(C)c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide?
The InChIKey is PGSUIOWXYIBKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-24-19(27)14(18(26)23-15-7-3-4-8-16(15)28-2)11-22-20(24)30-12-17(25)21-10-13-6-5-9-29-13/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide?
N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-methyl-6-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 18572170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).