4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride

C14H18ClN3O3 — CID 53381610

IUPAC4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
SMILESCOc1cc(-c2cc(N)nc(N)c2)cc(OC)c1OC.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-18-10-4-8(5-11(19-2)14(10)20-3)9-6-12(15)17-13(16)7-9;/h4-7H,1-3H3,(H4,15,16,17);1H
InChIKeyZZRQIZVESGASAD-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.36
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride

4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride (PubChem CID 53381610) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
PubChem CID53381610
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
SMILESCOc1cc(-c2cc(N)nc(N)c2)cc(OC)c1OC.Cl
InChIInChI=1S/C14H17N3O3.ClH/c1-18-10-4-8(5-11(19-2)14(10)20-3)9-6-12(15)17-13(16)7-9;/h4-7H,1-3H3,(H4,15,16,17);1H
InChIKeyZZRQIZVESGASAD-UHFFFAOYSA-N
XLogP2.36
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dimethoxy-2-(3,4,5-trimethoxyphenyl)aniline
CID 89207272
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
2,3,5,6-tetramethoxyaniline
CID 19093015
6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyridazin-3-amine
CID 64689906
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
6-chloro-2-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 628127
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-thiazole
CID 91024089
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine
CID 69016736
3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
CID 141375557

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride (CID 53381610) is 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride is COc1cc(-c2cc(N)nc(N)c2)cc(OC)c1OC.Cl.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride?
The InChIKey is ZZRQIZVESGASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.ClH/c1-18-10-4-8(5-11(19-2)14(10)20-3)9-6-12(15)17-13(16)7-9;/h4-7H,1-3H3,(H4,15,16,17);1H.
What are the key properties of 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride?
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 53381610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).