[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate

C24H26N2O6 — CID 175177068

IUPAC[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)c1cnc(C)nc1
InChIInChI=1S/C24H26N2O6/c1-15-25-13-18(14-26-15)24(27)32-20-10-16(8-9-19(20)28-2)6-7-17-11-21(29-3)23(31-5)22(12-17)30-4/h8-14H,6-7H2,1-5H3
InChIKeyQZGWZVYSHFOYCS-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.82
Rot. Bonds9

About [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate

[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate (PubChem CID 175177068) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate
PubChem CID175177068
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)c1cnc(C)nc1
InChIInChI=1S/C24H26N2O6/c1-15-25-13-18(14-26-15)24(27)32-20-10-16(8-9-19(20)28-2)6-7-17-11-21(29-3)23(31-5)22(12-17)30-4/h8-14H,6-7H2,1-5H3
InChIKeyQZGWZVYSHFOYCS-UHFFFAOYSA-N
XLogP3.82
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenyl] benzoate
CID 171345656
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] hydrogen sulfate
CID 24820748
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
(2,4,6-trimethylphenyl) 3,4,5-trimethoxybenzoate
CID 8915383
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
1-(3,5-dimethoxyphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxyphenyl]ethane-1,2-dione
CID 172869778
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
2-chloro-4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzoic acid
CID 19860116
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 18151669
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
methyl 4-[(3,4,5-trimethoxyphenyl)methyl]benzoate
CID 19861876

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate?
The IUPAC name of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate (CID 175177068) is [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate?
The canonical SMILES for [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate is COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC(=O)c1cnc(C)nc1.
What is the InChIKey of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate?
The InChIKey is QZGWZVYSHFOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-15-25-13-18(14-26-15)24(27)32-20-10-16(8-9-19(20)28-2)6-7-17-11-21(29-3)23(31-5)22(12-17)30-4/h8-14H,6-7H2,1-5H3.
What are the key properties of [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate?
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] 2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 175177068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).