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

C13H19Cl2N3O — CID 102756272

IUPAC3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NC2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-2-5-16-12-10(14)8-11(15)13(18-12)17-9-3-6-19-7-4-9/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChIKeyXTTRMHOXENBFSB-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.80
Rot. Bonds5

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

3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine (PubChem CID 102756272) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
PubChem CID102756272
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NC2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-2-5-16-12-10(14)8-11(15)13(18-12)17-9-3-6-19-7-4-9/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChIKeyXTTRMHOXENBFSB-UHFFFAOYSA-N
XLogP3.80
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-methyl-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756278
3,5-dichloro-2-N-propyl-6-N-(thian-3-yl)pyridine-2,6-diamine
CID 102759994
3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
2-methyl-4-N-(oxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80789462
3,5-dichloro-6-(1-methylpiperidin-4-yl)oxy-N-propylpyridin-2-amine
CID 102760875
3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102758066
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]piperidin-2-one
CID 102757774
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine (CID 102756272) is 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NC2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is XTTRMHOXENBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-2-5-16-12-10(14)8-11(15)13(18-12)17-9-3-6-19-7-4-9/h8-9H,2-7H2,1H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine?
3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 304.22 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102756272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).