methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate

C18H20N4O4 — CID 109365464

IUPACmethyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C18H20N4O4/c1-12-19-15(11-16(20-12)22-7-9-26-10-8-22)17(23)21-14-6-4-3-5-13(14)18(24)25-2/h3-6,11H,7-10H2,1-2H3,(H,21,23)
InChIKeyCFXIBKUWDTZCED-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.66
Rot. Bonds4

About methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate

methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate (PubChem CID 109365464) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
PubChem CID109365464
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Namemethyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C18H20N4O4/c1-12-19-15(11-16(20-12)22-7-9-26-10-8-22)17(23)21-14-6-4-3-5-13(14)18(24)25-2/h3-6,11H,7-10H2,1-2H3,(H,21,23)
InChIKeyCFXIBKUWDTZCED-UHFFFAOYSA-N
XLogP1.66
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365497
ethyl 2-[[6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109367561
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
methyl 2-[[6-(tert-butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109373726
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate (CID 109365464) is methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)nc(C)n1.
What is the InChIKey of methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is CFXIBKUWDTZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-19-15(11-16(20-12)22-7-9-26-10-8-22)17(23)21-14-6-4-3-5-13(14)18(24)25-2/h3-6,11H,7-10H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate?
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 356.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 109365464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).