methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate

C20H18N4O4 — CID 109269515

IUPACmethyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ncc(C(=O)Nc3cccc(OC)c3)cn2)c1
InChIInChI=1S/C20H18N4O4/c1-27-17-8-4-7-16(10-17)23-18(25)14-11-21-20(22-12-14)24-15-6-3-5-13(9-15)19(26)28-2/h3-12H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyDVTHDSSIYNXQNE-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.27
Rot. Bonds6

About methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate

methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate (PubChem CID 109269515) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
PubChem CID109269515
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Namemethyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
SMILESCOC(=O)c1cccc(Nc2ncc(C(=O)Nc3cccc(OC)c3)cn2)c1
InChIInChI=1S/C20H18N4O4/c1-27-17-8-4-7-16(10-17)23-18(25)14-11-21-20(22-12-14)24-15-6-3-5-13(9-15)19(26)28-2/h3-12H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyDVTHDSSIYNXQNE-UHFFFAOYSA-N
XLogP3.27
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]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-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
methyl 3-[[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269162
2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269533
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
methyl 3-[[5-[(2,4-difluorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270233
methyl 3-[[5-[(2-cyanophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109270235
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
methyl 3-[[2-(cyclopropylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247601
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate?
The IUPAC name of methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate (CID 109269515) is methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate is COC(=O)c1cccc(Nc2ncc(C(=O)Nc3cccc(OC)c3)cn2)c1.
What is the InChIKey of methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate?
The InChIKey is DVTHDSSIYNXQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-27-17-8-4-7-16(10-17)23-18(25)14-11-21-20(22-12-14)24-15-6-3-5-13(9-15)19(26)28-2/h3-12H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate?
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate has a molecular weight of 378.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate is sourced from PubChem (CID 109269515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).