methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate

C21H20N4O4 — CID 109337500

IUPACmethyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C21H20N4O4/c1-13-11-18(19(26)24-17-10-5-4-9-16(17)20(27)29-3)25-21(22-13)23-14-7-6-8-15(12-14)28-2/h4-12H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyOOKIEBHHJMTMGH-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.58
Rot. Bonds6

About methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate

methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate (PubChem CID 109337500) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
PubChem CID109337500
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Namemethyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C21H20N4O4/c1-13-11-18(19(26)24-17-10-5-4-9-16(17)20(27)29-3)25-21(22-13)23-14-7-6-8-15(12-14)28-2/h4-12H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyOOKIEBHHJMTMGH-UHFFFAOYSA-N
XLogP3.58
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-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

methyl 2-[[2-(4-fluoroanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109336865
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
ethyl 2-[[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109334961
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527
methyl 2-[[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109332675
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate (CID 109337500) is methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(C)nc(Nc2cccc(OC)c2)n1.
What is the InChIKey of methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
The InChIKey is OOKIEBHHJMTMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-11-18(19(26)24-17-10-5-4-9-16(17)20(27)29-3)25-21(22-13)23-14-7-6-8-15(12-14)28-2/h4-12H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate?
methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate has a molecular weight of 392.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109337500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).