methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

C19H26N2O7 — CID 42914644

IUPACmethyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)NC(c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C
InChIInChI=1S/C19H26N2O7/c1-11-15(18(22)28-6)16(20-19(23)21(11)7-8-24-2)12-9-13(25-3)17(27-5)14(10-12)26-4/h9-10,16H,7-8H2,1-6H3,(H,20,23)
InChIKeyDRGDDWIOHAONJX-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.87
Rot. Bonds8

About methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 42914644) has the molecular formula C19H26N2O7 and a molecular weight of 394.42 g/mol. Its IUPAC name is methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate
PubChem CID42914644
Molecular FormulaC19H26N2O7
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Namemethyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate
SMILESCOCCN1C(=O)NC(c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C
InChIInChI=1S/C19H26N2O7/c1-11-15(18(22)28-6)16(20-19(23)21(11)7-8-24-2)12-9-13(25-3)17(27-5)14(10-12)26-4/h9-10,16H,7-8H2,1-6H3,(H,20,23)
InChIKeyDRGDDWIOHAONJX-UHFFFAOYSA-N
XLogP1.87
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate (CID 42914644) is methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate is COCCN1C(=O)NC(c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C.
What is the InChIKey of methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is DRGDDWIOHAONJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7/c1-11-15(18(22)28-6)16(20-19(23)21(11)7-8-24-2)12-9-13(25-3)17(27-5)14(10-12)26-4/h9-10,16H,7-8H2,1-6H3,(H,20,23).
What are the key properties of methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate?
methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 394.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethyl)-4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 42914644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).