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

C17H18N4O4 — CID 109300468

IUPACmethyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H18N4O4/c1-24-16(23)12-2-4-13(5-3-12)19-15(22)14-6-7-18-17(20-14)21-8-10-25-11-9-21/h2-7H,8-11H2,1H3,(H,19,22)
InChIKeyGLDMKVCVNZMPGB-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.35
Rot. Bonds4

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

methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate (PubChem CID 109300468) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
PubChem CID109300468
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Namemethyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H18N4O4/c1-24-16(23)12-2-4-13(5-3-12)19-15(22)14-6-7-18-17(20-14)21-8-10-25-11-9-21/h2-7H,8-11H2,1H3,(H,19,22)
InChIKeyGLDMKVCVNZMPGB-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

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Related Compounds

N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109302171
N-(4-acetylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109309972
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299068

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate (CID 109300468) is methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1.
What is the InChIKey of methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is GLDMKVCVNZMPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-16(23)12-2-4-13(5-3-12)19-15(22)14-6-7-18-17(20-14)21-8-10-25-11-9-21/h2-7H,8-11H2,1H3,(H,19,22).
What are the key properties of methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
methyl 4-[(2-morpholin-4-ylpyrimidine-4-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 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 109300468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).