5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one

C15H20N2O3 — CID 19576241

IUPAC5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
SMILESCCOC1=C(C)N(C)C(=O)NC1c1cccc(OC)c1
InChIInChI=1S/C15H20N2O3/c1-5-20-14-10(2)17(3)15(18)16-13(14)11-7-6-8-12(9-11)19-4/h6-9,13H,5H2,1-4H3,(H,16,18)
InChIKeyCZXDKLUBWSXWKM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.66
Rot. Bonds4

About 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one

5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one (PubChem CID 19576241) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
PubChem CID19576241
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one
SMILESCCOC1=C(C)N(C)C(=O)NC1c1cccc(OC)c1
InChIInChI=1S/C15H20N2O3/c1-5-20-14-10(2)17(3)15(18)16-13(14)11-7-6-8-12(9-11)19-4/h6-9,13H,5H2,1-4H3,(H,16,18)
InChIKeyCZXDKLUBWSXWKM-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (6R)-6-(3-methoxyphenyl)-3-methyl-2-oxo-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93158564
ethyl (6S)-6-(3-methoxyphenyl)-3-methyl-2-oxo-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93158567
ethyl (6R)-6-(3-cyclopentyloxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7472688
ethyl (6R)-6-[3-[(4-methoxybenzoyl)amino]phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7361179
ethyl 3-ethyl-6-(3-methoxyphenyl)-4-[(4-methylphenoxy)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 46149361
(4S)-6-benzyl-4-(3-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202205
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118
ethyl (6R)-6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694277
ethyl 6-(3-methoxyphenyl)-3-methyl-2-oxo-4-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42822748
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
methyl (6R)-6-(3,4-diethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 838262
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one (CID 19576241) is 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one is CCOC1=C(C)N(C)C(=O)NC1c1cccc(OC)c1.
What is the InChIKey of 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
The InChIKey is CZXDKLUBWSXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-20-14-10(2)17(3)15(18)16-13(14)11-7-6-8-12(9-11)19-4/h6-9,13H,5H2,1-4H3,(H,16,18).
What are the key properties of 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one?
5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-(3-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 19576241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).