ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate

C26H30N6O7S — CID 67298185

IUPACethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)nc(N2CCOCC2)c1OCC
InChIInChI=1S/C26H30N6O7S/c1-3-38-22-21(25(33)39-4-2)30-23(31-24(22)32-13-15-37-16-14-32)17-5-7-18(8-6-17)28-26(34)29-19-9-11-20(12-10-19)40(27,35)36/h5-12H,3-4,13-16H2,1-2H3,(H2,27,35,36)(H2,28,29,34)
InChIKeyQDYKHZCUEVARSD-UHFFFAOYSA-N
MW570.63 g/mol
LogP2.85
Rot. Bonds9

About ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate

ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate (PubChem CID 67298185) has the molecular formula C26H30N6O7S and a molecular weight of 570.63 g/mol. Its IUPAC name is ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
PubChem CID67298185
Molecular FormulaC26H30N6O7S
Molecular Weight570.63 g/mol
Exact Mass570.19
IUPAC Nameethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)nc(N2CCOCC2)c1OCC
InChIInChI=1S/C26H30N6O7S/c1-3-38-22-21(25(33)39-4-2)30-23(31-24(22)32-13-15-37-16-14-32)17-5-7-18(8-6-17)28-26(34)29-19-9-11-20(12-10-19)40(27,35)36/h5-12H,3-4,13-16H2,1-2H3,(H2,27,35,36)(H2,28,29,34)
InChIKeyQDYKHZCUEVARSD-UHFFFAOYSA-N
XLogP2.85
TPSA175.07 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.63
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate 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

ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
ethyl 5-ethoxy-2-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295483
5-ethoxy-6-morpholin-4-yl-2-[4-(propan-2-ylcarbamoylamino)phenyl]pyrimidine-4-carboxylic acid
CID 122614590
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376
4-[[4-[4-(diethylamino)-5-ethoxy-6-ethoxycarbonylpyrimidin-2-yl]phenyl]carbamoylamino]benzoic acid
CID 123897300
phenyl N-[4-[5-ethoxy-4-(morpholine-4-carbonyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamate
CID 67297392
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 159675177
4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
CID 68915299

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate (CID 67298185) is ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate is CCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)nc(N2CCOCC2)c1OCC.
What is the InChIKey of ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate?
The InChIKey is QDYKHZCUEVARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O7S/c1-3-38-22-21(25(33)39-4-2)30-23(31-24(22)32-13-15-37-16-14-32)17-5-7-18(8-6-17)28-26(34)29-19-9-11-20(12-10-19)40(27,35)36/h5-12H,3-4,13-16H2,1-2H3,(H2,27,35,36)(H2,28,29,34).
What are the key properties of ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate?
ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate has a molecular weight of 570.63 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate is sourced from PubChem (CID 67298185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).