3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine

C12H18Cl2N4O — CID 102755807

IUPAC3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
SMILESNc1nc(NCCCN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c13-9-8-10(14)12(17-11(9)15)16-2-1-3-18-4-6-19-7-5-18/h8H,1-7H2,(H3,15,16,17)
InChIKeyNBAJIHICMSVZBU-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.10
Rot. Bonds5

About 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine

3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine (PubChem CID 102755807) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
PubChem CID102755807
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
SMILESNc1nc(NCCCN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N4O/c13-9-8-10(14)12(17-11(9)15)16-2-1-3-18-4-6-19-7-5-18/h8H,1-7H2,(H3,15,16,17)
InChIKeyNBAJIHICMSVZBU-UHFFFAOYSA-N
XLogP2.10
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dichloro-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-diamine
CID 102755704
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
CID 113228910
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323
4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 106847028
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
5-(3-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68862429
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
5-N-(3-morpholin-4-ylpropyl)pyridine-3,5-diamine
CID 113423694
6-chloro-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyridazin-3-amine
CID 55169476

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine (CID 102755807) is 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine is Nc1nc(NCCCN2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine?
The InChIKey is NBAJIHICMSVZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c13-9-8-10(14)12(17-11(9)15)16-2-1-3-18-4-6-19-7-5-18/h8H,1-7H2,(H3,15,16,17).
What are the key properties of 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine has a molecular weight of 305.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 102755807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).