3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine

C13H19Cl2N3O — CID 102760091

IUPAC3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
SMILESCCNc1nc(NC(C)C2CCOC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-3-16-12-10(14)6-11(15)13(18-12)17-8(2)9-4-5-19-7-9/h6,8-9H,3-5,7H2,1-2H3,(H2,16,17,18)
InChIKeyCPBXFRFTHKKOLZ-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.66
Rot. Bonds5

About 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine (PubChem CID 102760091) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
PubChem CID102760091
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
SMILESCCNc1nc(NC(C)C2CCOC2)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N3O/c1-3-16-12-10(14)6-11(15)13(18-12)17-8(2)9-4-5-19-7-9/h6,8-9H,3-5,7H2,1-2H3,(H2,16,17,18)
InChIKeyCPBXFRFTHKKOLZ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-N-(1-cyclopentylethyl)-2-N-propylpyridine-2,6-diamine
CID 102758469
3,5-dichloro-6-N-(1,4-dioxan-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102756439
3,5-dichloro-6-N-(2-cyclopropylpropyl)-2-N-ethylpyridine-2,6-diamine
CID 102759850
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
3,5,6-trichloro-N-(1-cyclopropylethyl)pyridin-2-amine
CID 102750364
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine
CID 102759935
3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
CID 106028744
N-tert-butyl-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]propanamide
CID 102759658
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine (CID 102760091) is 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine is CCNc1nc(NC(C)C2CCOC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
The InChIKey is CPBXFRFTHKKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c1-3-16-12-10(14)6-11(15)13(18-12)17-8(2)9-4-5-19-7-9/h6,8-9H,3-5,7H2,1-2H3,(H2,16,17,18).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine has a molecular weight of 304.22 g/mol, XLogP of 3.66, 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-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 102760091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).