3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine

C15H17Cl2N3O — CID 102756557

IUPAC3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1nc(N(C)Cc2cccc(OC)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-18-14-12(16)8-13(17)15(19-14)20(2)9-10-5-4-6-11(7-10)21-3/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyKRVKPMFCFSYHSS-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.08
Rot. Bonds5

About 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine

3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine (PubChem CID 102756557) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
PubChem CID102756557
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1nc(N(C)Cc2cccc(OC)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-18-14-12(16)8-13(17)15(19-14)20(2)9-10-5-4-6-11(7-10)21-3/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyKRVKPMFCFSYHSS-UHFFFAOYSA-N
XLogP4.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
3,5-dichloro-6-N-[(2-fluorophenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756516
3,5-dichloro-6-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102761658
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
3,5-dichloro-6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 102761928
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 61417843
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 112724532

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine (CID 102756557) is 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine is CNc1nc(N(C)Cc2cccc(OC)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
The InChIKey is KRVKPMFCFSYHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-18-14-12(16)8-13(17)15(19-14)20(2)9-10-5-4-6-11(7-10)21-3/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine?
3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine has a molecular weight of 326.23 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine is sourced from PubChem (CID 102756557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).