6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine

C7H13N3O — CID 69026533

IUPAC6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine
SMILESCNC1(N)C=CC=C(OC)N1
InChIInChI=1S/C7H13N3O/c1-9-7(8)5-3-4-6(10-7)11-2/h3-5,9-10H,8H2,1-2H3
InChIKeyIMZOFYAUDSMTTP-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.53
Rot. Bonds2

About 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine

6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine (PubChem CID 69026533) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine.

Molecular Properties

Compound Name6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine
PubChem CID69026533
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine
SMILESCNC1(N)C=CC=C(OC)N1
InChIInChI=1S/C7H13N3O/c1-9-7(8)5-3-4-6(10-7)11-2/h3-5,9-10H,8H2,1-2H3
InChIKeyIMZOFYAUDSMTTP-UHFFFAOYSA-N
XLogP-0.53
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-1,2-dihydropyridine
CID 5255215
6-Ethoxy-1,2-dihydropyridine
CID 22318745
6-methoxy-N-methyl-1,2-dihydropyridin-1-ium-2-amine
CID 141911526
6-methoxy-N-methyl-1,2-dihydropyridin-2-amine
CID 141911527
6-methoxy-N,1-dimethyl-2H-pyridin-2-amine
CID 141911567
6-Methoxy-1,2-dihydropyridin-5-amine
CID 142523502
Ethane;6-methoxy-1,2-dihydropyridine
CID 143563479
5-Methoxy-1,8a-dihydroimidazo[1,2-a]pyridine
CID 86341036

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine?
The IUPAC name of 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine (CID 69026533) is 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine.
What is the SMILES notation for 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine?
The canonical SMILES for 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine is CNC1(N)C=CC=C(OC)N1.
What is the InChIKey of 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine?
The InChIKey is IMZOFYAUDSMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-9-7(8)5-3-4-6(10-7)11-2/h3-5,9-10H,8H2,1-2H3.
What are the key properties of 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine?
6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine has a molecular weight of 155.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N'-methyl-1H-pyridine-2,2-diamine is sourced from PubChem (CID 69026533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).