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

C17H20N2O5 — CID 17421958

IUPACmethyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H20N2O5/c1-10-13(16(21)24-5)14(19(3)17(22)18(10)2)11-6-8-12(9-7-11)15(20)23-4/h6-9,14H,1-5H3
InChIKeyYQNFTXQZFISCBB-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.96
Rot. Bonds3

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

methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 17421958) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID17421958
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namemethyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H20N2O5/c1-10-13(16(21)24-5)14(19(3)17(22)18(10)2)11-6-8-12(9-7-11)15(20)23-4/h6-9,14H,1-5H3
InChIKeyYQNFTXQZFISCBB-UHFFFAOYSA-N
XLogP1.96
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (CID 17421958) is methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is YQNFTXQZFISCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10-13(16(21)24-5)14(19(3)17(22)18(10)2)11-6-8-12(9-7-11)15(20)23-4/h6-9,14H,1-5H3.
What are the key properties of methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxycarbonylphenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 17421958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).