2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C13H23N3O2 — CID 43261799

IUPAC2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCOCCCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)18-12-10(14)6-7-11(16-12)15-8-5-9-17-4/h6-7H,5,8-9,14H2,1-4H3,(H,15,16)
InChIKeySUFVNUBVXGFYLJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.29
Rot. Bonds6

About 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 43261799) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID43261799
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCOCCCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C13H23N3O2/c1-13(2,3)18-12-10(14)6-7-11(16-12)15-8-5-9-17-4/h6-7H,5,8-9,14H2,1-4H3,(H,15,16)
InChIKeySUFVNUBVXGFYLJ-UHFFFAOYSA-N
XLogP2.29
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 62843269
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]pentan-2-ol
CID 106119798
2-N-(3-cyclopentylpropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 106007172
2-N-ethyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 43260941
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 63982043
2-N-(2,2-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 103460190
6-[(2-methylpropan-2-yl)oxy]-2-N-prop-2-enylpyridine-2,5-diamine
CID 62500488
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 61460018
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141303
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 43261157
4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 106140773

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 43261799) is 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is COCCCNc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is SUFVNUBVXGFYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-13(2,3)18-12-10(14)6-7-11(16-12)15-8-5-9-17-4/h6-7H,5,8-9,14H2,1-4H3,(H,15,16).
What are the key properties of 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 253.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 43261799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).