6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine

C12H19N3O2 — CID 113286504

IUPAC6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2CCCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-16-11-6-5-10(13)12(15-11)14-8-9-4-2-3-7-17-9/h5-6,9H,2-4,7-8,13H2,1H3,(H,14,15)
InChIKeyHAYGUVBVYAEIIQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds4

About 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine

6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine (PubChem CID 113286504) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
PubChem CID113286504
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCC2CCCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-16-11-6-5-10(13)12(15-11)14-8-9-4-2-3-7-17-9/h5-6,9H,2-4,7-8,13H2,1H3,(H,14,15)
InChIKeyHAYGUVBVYAEIIQ-UHFFFAOYSA-N
XLogP1.65
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3-diamine
CID 115320635
6-methoxy-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79882191
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613
6-methoxy-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 115321070
6-methoxy-2-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,3-diamine
CID 113286507
6-methoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817391
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine
CID 113286528
tert-butyl 5-amino-6-[[(2S)-oxetan-2-yl]methylamino]pyridine-2-carboxylate
CID 155190731
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine (CID 113286504) is 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine is COc1ccc(N)c(NCC2CCCCO2)n1.
What is the InChIKey of 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine?
The InChIKey is HAYGUVBVYAEIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-11-6-5-10(13)12(15-11)14-8-9-4-2-3-7-17-9/h5-6,9H,2-4,7-8,13H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine?
6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine has a molecular weight of 237.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(oxan-2-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 113286504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).