3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine

C14H21Cl2N3O — CID 102756278

IUPAC3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(C)C2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-3-6-17-13-11(15)9-12(16)14(18-13)19(2)10-4-7-20-8-5-10/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyAOZYUQPWKWBAEP-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.83
Rot. Bonds5

About 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine

3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102756278) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
PubChem CID102756278
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(C)C2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-3-6-17-13-11(15)9-12(16)14(18-13)19(2)10-4-7-20-8-5-10/h9-10H,3-8H2,1-2H3,(H,17,18)
InChIKeyAOZYUQPWKWBAEP-UHFFFAOYSA-N
XLogP3.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 82743264
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
CID 102757278
3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 102760077
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine (CID 102756278) is 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(N(C)C2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is AOZYUQPWKWBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-3-6-17-13-11(15)9-12(16)14(18-13)19(2)10-4-7-20-8-5-10/h9-10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 318.25 g/mol, XLogP of 3.83, 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-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102756278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).