6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine

C10H16ClN3O — CID 104923902

IUPAC6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
SMILESCOCCCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-15-5-3-2-4-13-10-7-8(12)6-9(11)14-10/h6-7H,2-5H2,1H3,(H3,12,13,14)
InChIKeyFUMIKWIHRPDCHJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.16
Rot. Bonds6

About 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine

6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine (PubChem CID 104923902) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
PubChem CID104923902
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
SMILESCOCCCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C10H16ClN3O/c1-15-5-3-2-4-13-10-7-8(12)6-9(11)14-10/h6-7H,2-5H2,1H3,(H3,12,13,14)
InChIKeyFUMIKWIHRPDCHJ-UHFFFAOYSA-N
XLogP2.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
CID 62480987
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
CID 103081629
6-chloro-N-[4-(2-methoxyethoxy)butyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716177
2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114131009
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
3,5-dichloro-6-hydrazinyl-N-(4-methoxybutyl)pyridin-2-amine
CID 102761891
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine (CID 104923902) is 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine is COCCCCNc1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine?
The InChIKey is FUMIKWIHRPDCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-15-5-3-2-4-13-10-7-8(12)6-9(11)14-10/h6-7H,2-5H2,1H3,(H3,12,13,14).
What are the key properties of 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine?
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine is sourced from PubChem (CID 104923902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).