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

C22H25N3O5 — CID 3242530

IUPAC4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-5-30-16-11-7-6-10-15(16)24-21(26)18-13(2)23-22(27)25-19(18)14-9-8-12-17(28-3)20(14)29-4/h6-12,19H,5H2,1-4H3,(H,24,26)(H2,23,25,27)
InChIKeyIMXZNZYGEZLJMC-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.37
Rot. Bonds7

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

4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3242530) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID3242530
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-5-30-16-11-7-6-10-15(16)24-21(26)18-13(2)23-22(27)25-19(18)14-9-8-12-17(28-3)20(14)29-4/h6-12,19H,5H2,1-4H3,(H,24,26)(H2,23,25,27)
InChIKeyIMXZNZYGEZLJMC-UHFFFAOYSA-N
XLogP3.37
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2879028
(4R)-N-(2-ethoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 991610
(4S)-N-(2-chlorophenyl)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124508
ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate
CID 1302656
(4S)-N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989698
4-(2,3-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23904549
N-(2-methoxyphenyl)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2921555
N-(2-ethoxyphenyl)-4-(2-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3801251
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245
(4S)-N-(2-ethoxyphenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40567086
(4R)-4-(2-chlorophenyl)-N-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1124277
4-(2-methoxyphenyl)-6-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 46134950

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3242530) is 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is IMXZNZYGEZLJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-5-30-16-11-7-6-10-15(16)24-21(26)18-13(2)23-22(27)25-19(18)14-9-8-12-17(28-3)20(14)29-4/h6-12,19H,5H2,1-4H3,(H,24,26)(H2,23,25,27).
What are the key properties of 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3242530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).