6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine

C14H17ClN4O2 — CID 154666347

IUPAC6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
SMILESCOc1ccc(CNc2nc(Cl)cc(N)c2N)c(OC)c1
InChIInChI=1S/C14H17ClN4O2/c1-20-9-4-3-8(11(5-9)21-2)7-18-14-13(17)10(16)6-12(15)19-14/h3-6H,7,17H2,1-2H3,(H3,16,18,19)
InChIKeyADEZZXFJDFWQLU-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.53
Rot. Bonds5

About 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine

6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine (PubChem CID 154666347) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
PubChem CID154666347
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
SMILESCOc1ccc(CNc2nc(Cl)cc(N)c2N)c(OC)c1
InChIInChI=1S/C14H17ClN4O2/c1-20-9-4-3-8(11(5-9)21-2)7-18-14-13(17)10(16)6-12(15)19-14/h3-6H,7,17H2,1-2H3,(H3,16,18,19)
InChIKeyADEZZXFJDFWQLU-UHFFFAOYSA-N
XLogP2.53
TPSA95.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 155034444
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
5-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3,4-diamine
CID 103518137
5-amino-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 139327511
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
6-(4-amino-3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-4-methylphthalazin-1-amine
CID 162682500
4-N-[(2,4-dimethoxyphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80815552
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine?
The IUPAC name of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine (CID 154666347) is 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine.
What is the SMILES notation for 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine?
The canonical SMILES for 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine is COc1ccc(CNc2nc(Cl)cc(N)c2N)c(OC)c1.
What is the InChIKey of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine?
The InChIKey is ADEZZXFJDFWQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-20-9-4-3-8(11(5-9)21-2)7-18-14-13(17)10(16)6-12(15)19-14/h3-6H,7,17H2,1-2H3,(H3,16,18,19).
What are the key properties of 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine?
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine has a molecular weight of 308.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine is sourced from PubChem (CID 154666347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).