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

C14H23Cl2N3S — CID 102760077

IUPAC3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(C)C(C)CCSC)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3S/c1-5-7-17-13-11(15)9-12(16)14(18-13)19(3)10(2)6-8-20-4/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyKKXCBGQNXGAMTQ-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.79
Rot. Bonds8

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

3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102760077) has the molecular formula C14H23Cl2N3S and a molecular weight of 336.33 g/mol. Its IUPAC name is 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
PubChem CID102760077
Molecular FormulaC14H23Cl2N3S
Molecular Weight336.33 g/mol
Exact Mass335.10
IUPAC Name3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(N(C)C(C)CCSC)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3S/c1-5-7-17-13-11(15)9-12(16)14(18-13)19(3)10(2)6-8-20-4/h9-10H,5-8H2,1-4H3,(H,17,18)
InChIKeyKKXCBGQNXGAMTQ-UHFFFAOYSA-N
XLogP4.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine with MolForge

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
CID 102757278
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
CID 102761403
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 106163265

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine (CID 102760077) is 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(N(C)C(C)CCSC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is KKXCBGQNXGAMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3S/c1-5-7-17-13-11(15)9-12(16)14(18-13)19(3)10(2)6-8-20-4/h9-10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 336.33 g/mol, XLogP of 4.79, 8 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-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102760077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).