methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate

C17H18N4O4 — CID 109252285

IUPACmethyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O4/c1-24-16(23)13-4-2-3-5-14(13)20-15(22)12-10-18-17(19-11-12)21-6-8-25-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
InChIKeyWBQAUBGAPMXDOG-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate

methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate (PubChem CID 109252285) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
PubChem CID109252285
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Namemethyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C17H18N4O4/c1-24-16(23)13-4-2-3-5-14(13)20-15(22)12-10-18-17(19-11-12)21-6-8-25-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22)
InChIKeyWBQAUBGAPMXDOG-UHFFFAOYSA-N
XLogP1.35
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate 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

2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109250266
2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide
CID 16677947
methyl 2-[[2-(propan-2-ylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247207
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate (CID 109252285) is methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate?
The InChIKey is WBQAUBGAPMXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-16(23)13-4-2-3-5-14(13)20-15(22)12-10-18-17(19-11-12)21-6-8-25-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,22).
What are the key properties of methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate?
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate has a molecular weight of 342.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 109252285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).