3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine

C13H20Cl2N4 — CID 102759502

IUPAC3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
SMILESCN(C)C1(CNc2nc(N)c(Cl)cc2Cl)CCCC1
InChIInChI=1S/C13H20Cl2N4/c1-19(2)13(5-3-4-6-13)8-17-12-10(15)7-9(14)11(16)18-12/h7H,3-6,8H2,1-2H3,(H3,16,17,18)
InChIKeyUWBYGKMMIFWBOF-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.26
Rot. Bonds4

About 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine (PubChem CID 102759502) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
PubChem CID102759502
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
SMILESCN(C)C1(CNc2nc(N)c(Cl)cc2Cl)CCCC1
InChIInChI=1S/C13H20Cl2N4/c1-19(2)13(5-3-4-6-13)8-17-12-10(15)7-9(14)11(16)18-12/h7H,3-6,8H2,1-2H3,(H3,16,17,18)
InChIKeyUWBYGKMMIFWBOF-UHFFFAOYSA-N
XLogP3.26
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine (CID 102759502) is 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine is CN(C)C1(CNc2nc(N)c(Cl)cc2Cl)CCCC1.
What is the InChIKey of 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
The InChIKey is UWBYGKMMIFWBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-19(2)13(5-3-4-6-13)8-17-12-10(15)7-9(14)11(16)18-12/h7H,3-6,8H2,1-2H3,(H3,16,17,18).
What are the key properties of 3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine has a molecular weight of 303.24 g/mol, XLogP of 3.26, 4 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-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine is sourced from PubChem (CID 102759502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).