2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine

C14H16ClN3O — CID 79021315

IUPAC2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C)c(N)cn1
InChIInChI=1S/C14H16ClN3O/c1-8-4-12(13(19-3)6-10(8)15)18-14-5-9(2)11(16)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyGPYARAMYNXAOLI-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.69
Rot. Bonds3

About 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine

2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79021315) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
PubChem CID79021315
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C)c(N)cn1
InChIInChI=1S/C14H16ClN3O/c1-8-4-12(13(19-3)6-10(8)15)18-14-5-9(2)11(16)7-17-14/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyGPYARAMYNXAOLI-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173822
2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
5-chloro-1-N-(4-chloro-2-methoxy-5-methylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552563
4-chloro-2-N-(4-chloro-2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 115468524
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63963848
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine (CID 79021315) is 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine is COc1cc(Cl)c(C)cc1Nc1cc(C)c(N)cn1.
What is the InChIKey of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is GPYARAMYNXAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-4-12(13(19-3)6-10(8)15)18-14-5-9(2)11(16)7-17-14/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 277.76 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79021315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).