N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide

C19H25N3O4 — CID 1147749

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OCC)c1OCC
InChIInChI=1S/C19H25N3O4/c1-6-24-15-10-14(11-16(25-7-2)17(15)26-8-3)18(23)22-19-20-12(4)9-13(5)21-19/h9-11H,6-8H2,1-5H3,(H,20,21,22,23)
InChIKeyIGCCHKVCJIZRSF-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.54
Rot. Bonds8

About N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide

N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide (PubChem CID 1147749) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide
PubChem CID1147749
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OCC)c1OCC
InChIInChI=1S/C19H25N3O4/c1-6-24-15-10-14(11-16(25-7-2)17(15)26-8-3)18(23)22-19-20-12(4)9-13(5)21-19/h9-11H,6-8H2,1-5H3,(H,20,21,22,23)
InChIKeyIGCCHKVCJIZRSF-UHFFFAOYSA-N
XLogP3.54
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide 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

N-(6-methylpyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
3,4,5-triethoxy-N-2-pyrimidinylbenzamide
CID 771150
2-Methoxy-6-methyl-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 1091863
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2018317
Trimetamide
CID 22032
3,4,5-triethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 649583
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 2305695
[2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2570985
N-[2,6-bis(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
CID 71570517
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 717499
N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-trimethoxybenzamide
CID 784191
3-cyclopentyloxy-4-methoxy-N-pyrimidin-2-yl-benzamide
CID 9995708

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide (CID 1147749) is N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OCC)c1OCC.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide?
The InChIKey is IGCCHKVCJIZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-6-24-15-10-14(11-16(25-7-2)17(15)26-8-3)18(23)22-19-20-12(4)9-13(5)21-19/h9-11H,6-8H2,1-5H3,(H,20,21,22,23).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide has a molecular weight of 359.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 1147749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).