2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine

C20H20N2O3 — CID 668467

IUPAC2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1ccc(C2Nc3cccc4cccc(c34)N2)c(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-23-16-11-10-13(18(24-2)19(16)25-3)20-21-14-8-4-6-12-7-5-9-15(22-20)17(12)14/h4-11,20-22H,1-3H3
InChIKeyRFQDZRJJOLMKQZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.40
Rot. Bonds4

About 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine

2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 668467) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID668467
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1ccc(C2Nc3cccc4cccc(c34)N2)c(OC)c1OC
InChIInChI=1S/C20H20N2O3/c1-23-16-11-10-13(18(24-2)19(16)25-3)20-21-14-8-4-6-12-7-5-9-15(22-20)17(12)14/h4-11,20-22H,1-3H3
InChIKeyRFQDZRJJOLMKQZ-UHFFFAOYSA-N
XLogP4.40
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydro-1H-perimidin-2-yl)-2-ethoxyphenol
CID 760604
2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine
CID 1742045
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methoxyphenol
CID 854279
4-(2,3-dihydro-1H-perimidin-2-yl)-2-methoxyphenol
CID 760603
2-(4-Methoxyphenyl)-2,3-dihydro-1h-perimidine
CID 256655
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol
CID 727028
2-(3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256656
2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761632
2-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 668463
5-(2,3-dihydroperimidin-2-yl)-2H-benzo[d]1,3-dioxolane
CID 256212
2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761627

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine (CID 668467) is 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine is COc1ccc(C2Nc3cccc4cccc(c34)N2)c(OC)c1OC.
What is the InChIKey of 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is RFQDZRJJOLMKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-23-16-11-10-13(18(24-2)19(16)25-3)20-21-14-8-4-6-12-7-5-9-15(22-20)17(12)14/h4-11,20-22H,1-3H3.
What are the key properties of 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine has a molecular weight of 336.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 668467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).