3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine

C13H22Cl2N4 — CID 102757090

IUPAC3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
SMILESCC(C)CC(CN(C)C)Nc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C13H22Cl2N4/c1-8(2)5-9(7-19(3)4)17-13-11(15)6-10(14)12(16)18-13/h6,8-9H,5,7H2,1-4H3,(H3,16,17,18)
InChIKeyMQAOUDJESSPHHR-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.36
Rot. Bonds6

About 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine

3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine (PubChem CID 102757090) has the molecular formula C13H22Cl2N4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
PubChem CID102757090
Molecular FormulaC13H22Cl2N4
Molecular Weight305.25 g/mol
Exact Mass304.12
IUPAC Name3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
SMILESCC(C)CC(CN(C)C)Nc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C13H22Cl2N4/c1-8(2)5-9(7-19(3)4)17-13-11(15)6-10(14)12(16)18-13/h6,8-9H,5,7H2,1-4H3,(H3,16,17,18)
InChIKeyMQAOUDJESSPHHR-UHFFFAOYSA-N
XLogP3.36
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3,5-dichloro-6-N-(3-methylbutan-2-yl)pyridine-2,6-diamine
CID 102754467
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
CID 103078240
5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
CID 54963875
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine
CID 116795711
3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine
CID 102759905
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746105
5-amino-6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-3-carboxylic acid
CID 81439016
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine (CID 102757090) is 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine is CC(C)CC(CN(C)C)Nc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine?
The InChIKey is MQAOUDJESSPHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2N4/c1-8(2)5-9(7-19(3)4)17-13-11(15)6-10(14)12(16)18-13/h6,8-9H,5,7H2,1-4H3,(H3,16,17,18).
What are the key properties of 3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine has a molecular weight of 305.25 g/mol, XLogP of 3.36, 6 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)-4-methylpentan-2-yl]pyridine-2,6-diamine is sourced from PubChem (CID 102757090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).