2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine

C20H20N2O3 — CID 761632

IUPAC2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-23-13-10-16(24-2)19(17(11-13)25-3)20-21-14-8-4-6-12-7-5-9-15(22-20)18(12)14/h4-11,20-22H,1-3H3
InChIKeyVLBQWFZKQNEMRT-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.40
Rot. Bonds4

About 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine

2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine (PubChem CID 761632) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
PubChem CID761632
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
SMILESCOc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-23-13-10-16(24-2)19(17(11-13)25-3)20-21-14-8-4-6-12-7-5-9-15(22-20)18(12)14/h4-11,20-22H,1-3H3
InChIKeyVLBQWFZKQNEMRT-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

2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
2-(4-propoxyphenyl)-2,3-dihydro-1H-perimidine
CID 1742045
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-(2,3-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 668463
2-(4-ethoxy-3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761627
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256657
N-(4-methoxybenzyl)-N'-1-naphthylurea
CID 895322
N-[2-(2,6-dimethoxyphenyl)phenyl]-6-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 44529720
(2R,3S,4S)-N-(3,5-dimethoxyphenyl)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 44562796
4-(2,3-dihydro-1H-perimidin-2-yl)-2,6-dimethoxyphenyl acetate
CID 660445

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine (CID 761632) is 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine is COc1cc(OC)c(C2Nc3cccc4cccc(c34)N2)c(OC)c1.
What is the InChIKey of 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
The InChIKey is VLBQWFZKQNEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-23-13-10-16(24-2)19(17(11-13)25-3)20-21-14-8-4-6-12-7-5-9-15(22-20)18(12)14/h4-11,20-22H,1-3H3.
What are the key properties of 2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine?
2-(2,4,6-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-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 761632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).