3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine

C15H23Cl2N3 — CID 102755687

IUPAC3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NC2CCCCC2C)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3/c1-3-8-18-14-11(16)9-12(17)15(20-14)19-13-7-5-4-6-10(13)2/h9-10,13H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyFSDNGCILBKBMLO-UHFFFAOYSA-N
MW316.28 g/mol
LogP5.20
Rot. Bonds5

About 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102755687) has the molecular formula C15H23Cl2N3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
PubChem CID102755687
Molecular FormulaC15H23Cl2N3
Molecular Weight316.28 g/mol
Exact Mass315.13
IUPAC Name3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NC2CCCCC2C)c(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2N3/c1-3-8-18-14-11(16)9-12(17)15(20-14)19-13-7-5-4-6-10(13)2/h9-10,13H,3-8H2,1-2H3,(H2,18,19,20)
InChIKeyFSDNGCILBKBMLO-UHFFFAOYSA-N
XLogP5.20
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.28
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-N-(2-methylcycloheptyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830803
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
3,5-dichloro-N-propyl-6-pyrrolidin-1-ylpyridin-2-amine
CID 102755297
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
CID 102759994
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine (CID 102755687) is 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NC2CCCCC2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is FSDNGCILBKBMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3/c1-3-8-18-14-11(16)9-12(17)15(20-14)19-13-7-5-4-6-10(13)2/h9-10,13H,3-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 316.28 g/mol, XLogP of 5.20, 5 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-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).