2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

C16H20ClN3O — CID 43261762

IUPAC2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCc1ccc(Nc2ccc(N)c(OCC(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-10(2)9-21-16-13(18)5-7-15(20-16)19-14-6-4-11(3)8-12(14)17/h4-8,10H,9,18H2,1-3H3,(H,19,20)
InChIKeyRNUVZYXITOWMIN-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.40
Rot. Bonds5

About 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine

2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (PubChem CID 43261762) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
PubChem CID43261762
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
SMILESCc1ccc(Nc2ccc(N)c(OCC(C)C)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN3O/c1-10(2)9-21-16-13(18)5-7-15(20-16)19-14-6-4-11(3)8-12(14)17/h4-8,10H,9,18H2,1-3H3,(H,19,20)
InChIKeyRNUVZYXITOWMIN-UHFFFAOYSA-N
XLogP4.40
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-dichlorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261371
2-N-(5-chloro-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43438422
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561
2-N-(2-bromo-4-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261741
2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79041425
6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351449
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
6-(2-methylpropoxy)-2-N-(1-methylpyrazol-4-yl)pyridine-2,5-diamine
CID 79770641
2-N-(2-fluoro-4-methylphenyl)-6-methoxypyridine-2,5-diamine
CID 43261717
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The IUPAC name of 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine (CID 43261762) is 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is Cc1ccc(Nc2ccc(N)c(OCC(C)C)n2)c(Cl)c1.
What is the InChIKey of 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
The InChIKey is RNUVZYXITOWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(2)9-21-16-13(18)5-7-15(20-16)19-14-6-4-11(3)8-12(14)17/h4-8,10H,9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine?
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine has a molecular weight of 305.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine is sourced from PubChem (CID 43261762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).