2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine

C14H16ClN3O2 — CID 79173822

IUPAC2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
SMILESCOc1cc(Nc2cc(C)c(N)cn2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-8-4-14(17-7-10(8)16)18-11-6-12(19-2)9(15)5-13(11)20-3/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyXBJCAVICZQTUEV-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.39
Rot. Bonds4

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

2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79173822) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
PubChem CID79173822
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
SMILESCOc1cc(Nc2cc(C)c(N)cn2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-8-4-14(17-7-10(8)16)18-11-6-12(19-2)9(15)5-13(11)20-3/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyXBJCAVICZQTUEV-UHFFFAOYSA-N
XLogP3.39
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79173617
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867157
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116
5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63463007
5-bromo-N-(5-chloro-2,4-dimethoxyphenyl)pyridin-2-amine
CID 61373201
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
6-N-(4-chloro-2,5-dimethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854664
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
N-(4-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine (CID 79173822) is 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine is COc1cc(Nc2cc(C)c(N)cn2)c(OC)cc1Cl.
What is the InChIKey of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is XBJCAVICZQTUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-8-4-14(17-7-10(8)16)18-11-6-12(19-2)9(15)5-13(11)20-3/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 293.75 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79173822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).