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

C15H17Cl2N3 — CID 102756388

IUPAC3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCc2cccc(C)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-3-18-14-12(16)8-13(17)15(20-14)19-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H2,18,19,20)
InChIKeySIPGKQUAVGFNJA-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.74
Rot. Bonds5

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

3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine (PubChem CID 102756388) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
PubChem CID102756388
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCc2cccc(C)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-3-18-14-12(16)8-13(17)15(20-14)19-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H2,18,19,20)
InChIKeySIPGKQUAVGFNJA-UHFFFAOYSA-N
XLogP4.74
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
3,5-dichloro-N-ethyl-6-(3-methylphenoxy)pyridin-2-amine
CID 102760660
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
3,5-dichloro-2-N-ethyl-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 102757761
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine (CID 102756388) is 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine is CCNc1nc(NCc2cccc(C)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
The InChIKey is SIPGKQUAVGFNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-3-18-14-12(16)8-13(17)15(20-14)19-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine has a molecular weight of 310.23 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 102756388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).