methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate

C24H28N2O6 — CID 16759642

IUPACmethyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C24H28N2O6/c1-15-20(23(27)32-5)21(17-9-7-6-8-10-17)25-24(28)26(15)12-11-16-13-18(29-2)22(31-4)19(14-16)30-3/h6-10,13-14,21H,11-12H2,1-5H3,(H,25,28)/t21-/m0/s1
InChIKeyPDLCPOLAIKYXGA-NRFANRHFSA-N
MW440.50 g/mol
LogP3.47
Rot. Bonds8

About methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate

methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 16759642) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate
PubChem CID16759642
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Namemethyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C24H28N2O6/c1-15-20(23(27)32-5)21(17-9-7-6-8-10-17)25-24(28)26(15)12-11-16-13-18(29-2)22(31-4)19(14-16)30-3/h6-10,13-14,21H,11-12H2,1-5H3,(H,25,28)/t21-/m0/s1
InChIKeyPDLCPOLAIKYXGA-NRFANRHFSA-N
XLogP3.47
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-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 (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate (CID 16759642) is methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate is COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is PDLCPOLAIKYXGA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-15-20(23(27)32-5)21(17-9-7-6-8-10-17)25-24(28)26(15)12-11-16-13-18(29-2)22(31-4)19(14-16)30-3/h6-10,13-14,21H,11-12H2,1-5H3,(H,25,28)/t21-/m0/s1.
What are the key properties of methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate?
methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-4-methyl-2-oxo-6-phenyl-3-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 16759642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).