3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine

C14H15Cl2N3O — CID 102756549

IUPAC3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCOc1ccc(CN(C)c2nc(N)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H15Cl2N3O/c1-19(8-9-3-5-10(20-2)6-4-9)14-12(16)7-11(15)13(17)18-14/h3-7H,8H2,1-2H3,(H2,17,18)
InChIKeyPADANXZIJQLKSA-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.62
Rot. Bonds4

About 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine (PubChem CID 102756549) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
PubChem CID102756549
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCOc1ccc(CN(C)c2nc(N)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H15Cl2N3O/c1-19(8-9-3-5-10(20-2)6-4-9)14-12(16)7-11(15)13(17)18-14/h3-7H,8H2,1-2H3,(H2,17,18)
InChIKeyPADANXZIJQLKSA-UHFFFAOYSA-N
XLogP3.62
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-1-N-[(4-methoxyphenyl)methyl]-1-N-methylbenzene-1,4-diamine
CID 106890065
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
CID 66277992
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
3,5-dichloro-6-N-methyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756512
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758333
3,5-dichloro-6-N-(2,2-dimethylpropyl)-6-N-methylpyridine-2,6-diamine
CID 102757620
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
3,5-dichloro-6-N-[(3-methoxyphenyl)methyl]-2-N,6-N-dimethylpyridine-2,6-diamine
CID 102756557
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine (CID 102756549) is 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine is COc1ccc(CN(C)c2nc(N)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine?
The InChIKey is PADANXZIJQLKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-19(8-9-3-5-10(20-2)6-4-9)14-12(16)7-11(15)13(17)18-14/h3-7H,8H2,1-2H3,(H2,17,18).
What are the key properties of 3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine has a molecular weight of 312.20 g/mol, XLogP of 3.62, 4 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-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102756549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).