4-N-tert-butyl-6-methoxypyridine-3,4-diamine

C10H17N3O — CID 84666366

IUPAC4-N-tert-butyl-6-methoxypyridine-3,4-diamine
SMILESCOc1cc(NC(C)(C)C)c(N)cn1
InChIInChI=1S/C10H17N3O/c1-10(2,3)13-8-5-9(14-4)12-6-7(8)11/h5-6H,11H2,1-4H3,(H,12,13)
InChIKeyOBZJUVZBDCMXBS-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.88
Rot. Bonds2

About 4-N-tert-butyl-6-methoxypyridine-3,4-diamine

4-N-tert-butyl-6-methoxypyridine-3,4-diamine (PubChem CID 84666366) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-tert-butyl-6-methoxypyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-methoxypyridine-3,4-diamine
PubChem CID84666366
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-N-tert-butyl-6-methoxypyridine-3,4-diamine
SMILESCOc1cc(NC(C)(C)C)c(N)cn1
InChIInChI=1S/C10H17N3O/c1-10(2,3)13-8-5-9(14-4)12-6-7(8)11/h5-6H,11H2,1-4H3,(H,12,13)
InChIKeyOBZJUVZBDCMXBS-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-methoxypyridine-3,4-diamine?
The IUPAC name of 4-N-tert-butyl-6-methoxypyridine-3,4-diamine (CID 84666366) is 4-N-tert-butyl-6-methoxypyridine-3,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-methoxypyridine-3,4-diamine?
The canonical SMILES for 4-N-tert-butyl-6-methoxypyridine-3,4-diamine is COc1cc(NC(C)(C)C)c(N)cn1.
What is the InChIKey of 4-N-tert-butyl-6-methoxypyridine-3,4-diamine?
The InChIKey is OBZJUVZBDCMXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)13-8-5-9(14-4)12-6-7(8)11/h5-6H,11H2,1-4H3,(H,12,13).
What are the key properties of 4-N-tert-butyl-6-methoxypyridine-3,4-diamine?
4-N-tert-butyl-6-methoxypyridine-3,4-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-methoxypyridine-3,4-diamine is sourced from PubChem (CID 84666366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).