2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

C23H25N3O6 — CID 135601617

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(Cc2ccc(OC)c(OC)c2)[nH]c(=O)c1O
InChIInChI=1S/C23H25N3O6/c1-4-32-16-8-6-5-7-15(16)13-24-22(28)20-21(27)23(29)26-19(25-20)12-14-9-10-17(30-2)18(11-14)31-3/h5-11,27H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyWHPUYYWRJCYNBR-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.41
Rot. Bonds9

About 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide

2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135601617) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135601617
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(Cc2ccc(OC)c(OC)c2)[nH]c(=O)c1O
InChIInChI=1S/C23H25N3O6/c1-4-32-16-8-6-5-7-15(16)13-24-22(28)20-21(27)23(29)26-19(25-20)12-14-9-10-17(30-2)18(11-14)31-3/h5-11,27H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyWHPUYYWRJCYNBR-UHFFFAOYSA-N
XLogP2.41
TPSA122.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide 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-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide
CID 135601891
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-4-carboxamide
CID 135971582
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2,3-dimethoxyphenyl)methyl]-2-[4-[(dimethylamino)methyl]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601823
1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 111881593
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
2-(1,3-benzodioxol-5-ylmethyl)-N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135971656

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide (CID 135601617) is 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is CCOc1ccccc1CNC(=O)c1nc(Cc2ccc(OC)c(OC)c2)[nH]c(=O)c1O.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is WHPUYYWRJCYNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-4-32-16-8-6-5-7-15(16)13-24-22(28)20-21(27)23(29)26-19(25-20)12-14-9-10-17(30-2)18(11-14)31-3/h5-11,27H,4,12-13H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide?
2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).