6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine

C13H16N4O2 — CID 79823168

IUPAC6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
SMILESCOc1ccc(Nc2ccc(N)c(N)n2)cc1OC
InChIInChI=1S/C13H16N4O2/c1-18-10-5-3-8(7-11(10)19-2)16-12-6-4-9(14)13(15)17-12/h3-7H,14H2,1-2H3,(H3,15,16,17)
InChIKeyGICGYIKAGQYSGT-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.01
Rot. Bonds4

About 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine

6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine (PubChem CID 79823168) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
PubChem CID79823168
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
SMILESCOc1ccc(Nc2ccc(N)c(N)n2)cc1OC
InChIInChI=1S/C13H16N4O2/c1-18-10-5-3-8(7-11(10)19-2)16-12-6-4-9(14)13(15)17-12/h3-7H,14H2,1-2H3,(H3,15,16,17)
InChIKeyGICGYIKAGQYSGT-UHFFFAOYSA-N
XLogP2.01
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
CID 104775528
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
6-N-pyridin-4-ylpyridine-2,3,6-triamine
CID 157043315
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine (CID 79823168) is 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine is COc1ccc(Nc2ccc(N)c(N)n2)cc1OC.
What is the InChIKey of 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine?
The InChIKey is GICGYIKAGQYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-18-10-5-3-8(7-11(10)19-2)16-12-6-4-9(14)13(15)17-12/h3-7H,14H2,1-2H3,(H3,15,16,17).
What are the key properties of 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine?
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine has a molecular weight of 260.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79823168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).