2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine

C16H21N3O — CID 81133161

IUPAC2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
SMILESCCC(C)Oc1cccc(Nc2nc(C)ccc2N)c1
InChIInChI=1S/C16H21N3O/c1-4-12(3)20-14-7-5-6-13(10-14)19-16-15(17)9-8-11(2)18-16/h5-10,12H,4,17H2,1-3H3,(H,18,19)
InChIKeyYOCYPTYYAGQZBM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.89
Rot. Bonds5

About 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine

2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine (PubChem CID 81133161) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
PubChem CID81133161
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine
SMILESCCC(C)Oc1cccc(Nc2nc(C)ccc2N)c1
InChIInChI=1S/C16H21N3O/c1-4-12(3)20-14-7-5-6-13(10-14)19-16-15(17)9-8-11(2)18-16/h5-10,12H,4,17H2,1-3H3,(H,18,19)
InChIKeyYOCYPTYYAGQZBM-UHFFFAOYSA-N
XLogP3.89
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-butan-2-yloxyphenyl)-2-methyl-1H-imidazole-4,5-diamine
CID 55060202
3-N-(3-butan-2-yloxyphenyl)-2-methylbenzene-1,3-diamine
CID 63062068
N-(3-butan-2-yloxyphenyl)-6-hydrazinylpyridin-2-amine
CID 80908739
N-(3-butan-2-yloxyphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 63548911
4-N-(3-butan-2-yloxyphenyl)-2-chloro-5-methylbenzene-1,4-diamine
CID 115554865
1-N-(3-butan-2-yloxyphenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590295
4-amino-3-(3-butan-2-yloxyanilino)benzonitrile
CID 104711861
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
N-(3-butan-2-yloxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 62327894
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine (CID 81133161) is 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine is CCC(C)Oc1cccc(Nc2nc(C)ccc2N)c1.
What is the InChIKey of 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine?
The InChIKey is YOCYPTYYAGQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12(3)20-14-7-5-6-13(10-14)19-16-15(17)9-8-11(2)18-16/h5-10,12H,4,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine?
2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-butan-2-yloxyphenyl)-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).