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

C18H24N2O6 — CID 42914522

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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