3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine

C12H17Cl2N3O — CID 114131325

IUPAC3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
SMILESCNc1nc(NCCC2CCOC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-15-11-9(13)6-10(14)12(17-11)16-4-2-8-3-5-18-7-8/h6,8H,2-5,7H2,1H3,(H2,15,16,17)
InChIKeyXAYCSUDWFGQRIR-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.27
Rot. Bonds5

About 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine

3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine (PubChem CID 114131325) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
PubChem CID114131325
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
SMILESCNc1nc(NCCC2CCOC2)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-15-11-9(13)6-10(14)12(17-11)16-4-2-8-3-5-18-7-8/h6,8H,2-5,7H2,1H3,(H2,15,16,17)
InChIKeyXAYCSUDWFGQRIR-UHFFFAOYSA-N
XLogP3.27
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131306
2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131301
3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131324
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102755513
3,5-dichloro-2-N-methyl-6-N-[(4-methylcyclohexyl)methyl]pyridine-2,6-diamine
CID 102758204
3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
3,5-dichloro-6-N-decyl-2-N-methylpyridine-2,6-diamine
CID 102759054
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
2-chloro-N-[2-(oxolan-3-yl)ethyl]thiophen-3-amine
CID 130643756
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
6-methoxy-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131179

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine (CID 114131325) is 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine is CNc1nc(NCCC2CCOC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is XAYCSUDWFGQRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-15-11-9(13)6-10(14)12(17-11)16-4-2-8-3-5-18-7-8/h6,8H,2-5,7H2,1H3,(H2,15,16,17).
What are the key properties of 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 290.19 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 114131325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).