1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H23BrN2O6 — CID 23825064

IUPAC1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCC(C)OC(=O)C1=C(C)NC(=O)NC1c1cc(OC)cc(Br)c1OC
InChIInChI=1S/C18H23BrN2O6/c1-9(8-24-3)27-17(22)14-10(2)20-18(23)21-15(14)12-6-11(25-4)7-13(19)16(12)26-5/h6-7,9,15H,8H2,1-5H3,(H2,20,21,23)
InChIKeyNKFXPLAZSOGSFG-UHFFFAOYSA-N
MW443.29 g/mol
LogP2.67
Rot. Bonds7

About 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 23825064) has the molecular formula C18H23BrN2O6 and a molecular weight of 443.29 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID23825064
Molecular FormulaC18H23BrN2O6
Molecular Weight443.29 g/mol
Exact Mass442.07
IUPAC Name1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOCC(C)OC(=O)C1=C(C)NC(=O)NC1c1cc(OC)cc(Br)c1OC
InChIInChI=1S/C18H23BrN2O6/c1-9(8-24-3)27-17(22)14-10(2)20-18(23)21-15(14)12-6-11(25-4)7-13(19)16(12)26-5/h6-7,9,15H,8H2,1-5H3,(H2,20,21,23)
InChIKeyNKFXPLAZSOGSFG-UHFFFAOYSA-N
XLogP2.67
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

propan-2-yl 4-(5-bromo-2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845826
propan-2-yl (4R)-4-(2-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 842772
[(2S)-butan-2-yl] (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1250531
2-methylpropyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3755532
methyl (4S)-4-(2-bromo-5-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1329111
[(2S)-butan-2-yl] (4R)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722790
propan-2-yl (4S)-4-(5-bromo-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1039619
ethyl 4-(3,5-dibromo-2-methoxyphenyl)-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847359
propan-2-yl 6-methyl-2-oxo-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843715
butyl 4-(3,5-dichloro-2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847048
propan-2-yl (4R)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1036098
propan-2-yl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 692892

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 23825064) is 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COCC(C)OC(=O)C1=C(C)NC(=O)NC1c1cc(OC)cc(Br)c1OC.
What is the InChIKey of 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is NKFXPLAZSOGSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O6/c1-9(8-24-3)27-17(22)14-10(2)20-18(23)21-15(14)12-6-11(25-4)7-13(19)16(12)26-5/h6-7,9,15H,8H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 443.29 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-(3-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 23825064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).