6-but-3-yn-2-yloxy-4-methylpyridin-3-amine

C10H12N2O — CID 130497727

IUPAC6-but-3-yn-2-yloxy-4-methylpyridin-3-amine
SMILESC#CC(C)Oc1cc(C)c(N)cn1
InChIInChI=1S/C10H12N2O/c1-4-8(3)13-10-5-7(2)9(11)6-12-10/h1,5-6,8H,11H2,2-3H3
InChIKeyBMWGDZCXDIFJFW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.37
Rot. Bonds2

About 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine

6-but-3-yn-2-yloxy-4-methylpyridin-3-amine (PubChem CID 130497727) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-but-3-yn-2-yloxy-4-methylpyridin-3-amine
PubChem CID130497727
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-but-3-yn-2-yloxy-4-methylpyridin-3-amine
SMILESC#CC(C)Oc1cc(C)c(N)cn1
InChIInChI=1S/C10H12N2O/c1-4-8(3)13-10-5-7(2)9(11)6-12-10/h1,5-6,8H,11H2,2-3H3
InChIKeyBMWGDZCXDIFJFW-UHFFFAOYSA-N
XLogP1.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine
CID 106795090
4-methyl-6-(2-propan-2-yloxyethoxy)pyridin-3-amine
CID 79176546
6-cyclopropyloxy-4-methylpyridin-3-amine
CID 126971824
6-(3,5-dimethylphenoxy)-4-methylpyridin-3-amine
CID 79020990
4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 79176734
6-cyclobutyloxy-4-methylpyridin-3-amine
CID 79176085
4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
CID 106794793
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
6-(3,4-dimethylphenoxy)-4-methylpyridin-3-amine
CID 79021050
6-cycloheptyloxy-4-methylpyridin-3-amine
CID 79176454
4-methyl-6-[4-(3-phenylmethoxypropoxy)butan-2-yloxy]pyridin-3-amine
CID 174210532
6-(4-bromo-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 79176366

Frequently Asked Questions

What is the IUPAC name of 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine?
The IUPAC name of 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine (CID 130497727) is 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine.
What is the SMILES notation for 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine?
The canonical SMILES for 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine is C#CC(C)Oc1cc(C)c(N)cn1.
What is the InChIKey of 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine?
The InChIKey is BMWGDZCXDIFJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-8(3)13-10-5-7(2)9(11)6-12-10/h1,5-6,8H,11H2,2-3H3.
What are the key properties of 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine?
6-but-3-yn-2-yloxy-4-methylpyridin-3-amine has a molecular weight of 176.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-yn-2-yloxy-4-methylpyridin-3-amine is sourced from PubChem (CID 130497727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).