3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine

C13H13Cl2N3 — CID 102756384

IUPAC3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
SMILESCc1cccc(CNc2nc(N)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H13Cl2N3/c1-8-3-2-4-9(5-8)7-17-13-11(15)6-10(14)12(16)18-13/h2-6H,7H2,1H3,(H3,16,17,18)
InChIKeyLLYSRLNGRQMDOZ-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.89
Rot. Bonds3

About 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine (PubChem CID 102756384) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
PubChem CID102756384
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
SMILESCc1cccc(CNc2nc(N)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H13Cl2N3/c1-8-3-2-4-9(5-8)7-17-13-11(15)6-10(14)12(16)18-13/h2-6H,7H2,1H3,(H3,16,17,18)
InChIKeyLLYSRLNGRQMDOZ-UHFFFAOYSA-N
XLogP3.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 102755761
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 106890024
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine
CID 127049344
4-chloro-5-fluoro-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 66077217

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine (CID 102756384) is 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine is Cc1cccc(CNc2nc(N)c(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
The InChIKey is LLYSRLNGRQMDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-3-2-4-9(5-8)7-17-13-11(15)6-10(14)12(16)18-13/h2-6H,7H2,1H3,(H3,16,17,18).
What are the key properties of 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine has a molecular weight of 282.17 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 102756384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).