3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine

C13H20Cl2N4 — CID 102759271

IUPAC3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC2CCN(C)C(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-8-6-9(4-5-19(8)3)17-13-11(15)7-10(14)12(16-2)18-13/h7-9H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyFUFBUKYPEXNRIX-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.32
Rot. Bonds3

About 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine (PubChem CID 102759271) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine
PubChem CID102759271
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(NC2CCN(C)C(C)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-8-6-9(4-5-19(8)3)17-13-11(15)7-10(14)12(16-2)18-13/h7-9H,4-6H2,1-3H3,(H2,16,17,18)
InChIKeyFUFBUKYPEXNRIX-UHFFFAOYSA-N
XLogP3.32
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329283
N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine
CID 112676008
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine
CID 104834770
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114407308
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
5-chloro-1-N-(1,2-dimethylpiperidin-4-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553346
N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112695265
1-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperidin-4-ol
CID 102755349

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine (CID 102759271) is 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine is CNc1nc(NC2CCN(C)C(C)C2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is FUFBUKYPEXNRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-8-6-9(4-5-19(8)3)17-13-11(15)7-10(14)12(16-2)18-13/h7-9H,4-6H2,1-3H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 303.24 g/mol, XLogP of 3.32, 3 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-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102759271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).