3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine

C13H20BrN3O — CID 113420486

IUPAC3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCOC2CCCC2)c1Br
InChIInChI=1S/C13H20BrN3O/c1-9-11(15)8-17-13(12(9)14)16-6-7-18-10-4-2-3-5-10/h8,10H,2-7,15H2,1H3,(H,16,17)
InChIKeyMOUCDTLUQXPUKU-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.11
Rot. Bonds5

About 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine

3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine (PubChem CID 113420486) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
PubChem CID113420486
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCOC2CCCC2)c1Br
InChIInChI=1S/C13H20BrN3O/c1-9-11(15)8-17-13(12(9)14)16-6-7-18-10-4-2-3-5-10/h8,10H,2-7,15H2,1H3,(H,16,17)
InChIKeyMOUCDTLUQXPUKU-UHFFFAOYSA-N
XLogP3.11
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-cyclopentyloxyethyl)-4-methyl-5-nitropyridin-2-amine
CID 104507993
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
CID 79917375
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
CID 63826013
5-bromo-6-cyclopentyloxy-4-methylpyridin-3-amine
CID 104507203
2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 104506749
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine (CID 113420486) is 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine is Cc1c(N)cnc(NCCOC2CCCC2)c1Br.
What is the InChIKey of 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine?
The InChIKey is MOUCDTLUQXPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-11(15)8-17-13(12(9)14)16-6-7-18-10-4-2-3-5-10/h8,10H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine?
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine has a molecular weight of 314.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 113420486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).