methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate

C18H24N2O6 — CID 42914522

IUPACmethyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H24N2O6/c1-10-14(17(21)26-7)15(20(3)18(22)19(10)2)11-8-12(23-4)16(25-6)13(9-11)24-5/h8-9,15H,1-7H3
InChIKeyQIXWAGOADMWLJD-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.20
Rot. Bonds5

About methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate

methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate (PubChem CID 42914522) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate
PubChem CID42914522
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Namemethyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H24N2O6/c1-10-14(17(21)26-7)15(20(3)18(22)19(10)2)11-8-12(23-4)16(25-6)13(9-11)24-5/h8-9,15H,1-7H3
InChIKeyQIXWAGOADMWLJD-UHFFFAOYSA-N
XLogP2.20
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3244421
Ethyl 4-(4-hydroxy-3-methoxyphenyl)-1-methyl-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3238905
methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2748303
Ethyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2784318
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2999032
Methyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 5102795
Ethyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2830436
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester
CID 2855196
4-Methylbenzyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855414
Tetrahydro-2-furanylmethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2855603
1,3-Benzodioxol-5-ylmethyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2855873
Ethyl 1,2,3,4-tetrahydro-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-5-pyrimidinecarboxylate
CID 2863237

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate (CID 42914522) is methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)N(C)C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate?
The InChIKey is QIXWAGOADMWLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-10-14(17(21)26-7)15(20(3)18(22)19(10)2)11-8-12(23-4)16(25-6)13(9-11)24-5/h8-9,15H,1-7H3.
What are the key properties of methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate?
methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,6-trimethyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 42914522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).