3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine

C14H21Cl2N3O — CID 102760165

IUPAC3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine
SMILESCCCNc1nc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-5-17-13-11(15)6-12(16)14(18-13)19-7-9(2)20-10(3)8-19/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,18)/t9-,10+
InChIKeyNXVGBAKAMDWKJX-AOOOYVTPSA-N
MW318.25 g/mol
LogP3.82
Rot. Bonds4

About 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine

3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine (PubChem CID 102760165) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine
PubChem CID102760165
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine
SMILESCCCNc1nc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-5-17-13-11(15)6-12(16)14(18-13)19-7-9(2)20-10(3)8-19/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,18)/t9-,10+
InChIKeyNXVGBAKAMDWKJX-AOOOYVTPSA-N
XLogP3.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine (CID 102760165) is 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine is CCCNc1nc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine?
The InChIKey is NXVGBAKAMDWKJX-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-4-5-17-13-11(15)6-12(16)14(18-13)19-7-9(2)20-10(3)8-19/h6,9-10H,4-5,7-8H2,1-3H3,(H,17,18)/t9-,10+.
What are the key properties of 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine?
3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine has a molecular weight of 318.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propylpyridin-2-amine is sourced from PubChem (CID 102760165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).