2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine

C16H21N3O — CID 80759443

IUPAC2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-17-15-6-5-7-16(19-15)18-13-8-10-14(11-9-13)20-12(2)3/h5-12H,4H2,1-3H3,(H2,17,18,19)
InChIKeyVSXZIWWGWDVTDF-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.04
Rot. Bonds6

About 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine (PubChem CID 80759443) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
PubChem CID80759443
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-4-17-15-6-5-7-16(19-15)18-13-8-10-14(11-9-13)20-12(2)3/h5-12H,4H2,1-3H3,(H2,17,18,19)
InChIKeyVSXZIWWGWDVTDF-UHFFFAOYSA-N
XLogP4.04
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
CID 80753539
N-ethyl-6-propan-2-yloxypyridin-2-amine
CID 80859521
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 80920324
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
CID 80824451
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine (CID 80759443) is 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine is CCNc1cccc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine?
The InChIKey is VSXZIWWGWDVTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-15-6-5-7-16(19-15)18-13-8-10-14(11-9-13)20-12(2)3/h5-12H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine has a molecular weight of 271.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80759443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).