methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate

C16H18N4O4 — CID 109342870

IUPACmethyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
SMILESCOCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)ncn1
InChIInChI=1S/C16H18N4O4/c1-23-8-7-17-14-9-13(18-10-19-14)15(21)20-12-6-4-3-5-11(12)16(22)24-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyVGOLEBIVSNCZOP-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.57
Rot. Bonds7

About methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate

methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate (PubChem CID 109342870) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
PubChem CID109342870
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
SMILESCOCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)ncn1
InChIInChI=1S/C16H18N4O4/c1-23-8-7-17-14-9-13(18-10-19-14)15(21)20-12-6-4-3-5-11(12)16(22)24-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyVGOLEBIVSNCZOP-UHFFFAOYSA-N
XLogP1.57
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[[6-(2-methoxyethylamino)pyrimidine-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-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350231
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
ethyl 2-[[6-(2-methoxyethylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109364795
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342902
6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 68558474
N-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
ethyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350266
methyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340901
ethyl 2-[[6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109355963
methyl 2-[[6-[(3-methylphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109356166

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate (CID 109342870) is methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate is COCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)ncn1.
What is the InChIKey of methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate?
The InChIKey is VGOLEBIVSNCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-8-7-17-14-9-13(18-10-19-14)15(21)20-12-6-4-3-5-11(12)16(22)24-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate?
methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate has a molecular weight of 330.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109342870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).