5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine

C10H12N2O — CID 106660453

IUPAC5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
SMILESC#CCNc1cc(C)ncc1OC
InChIInChI=1S/C10H12N2O/c1-4-5-11-9-6-8(2)12-7-10(9)13-3/h1,6-7H,5H2,2-3H3,(H,11,12)
InChIKeyJTYJVEKNVDAJEV-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.44
Rot. Bonds3

About 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine

5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine (PubChem CID 106660453) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
PubChem CID106660453
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
SMILESC#CCNc1cc(C)ncc1OC
InChIInChI=1S/C10H12N2O/c1-4-5-11-9-6-8(2)12-7-10(9)13-3/h1,6-7H,5H2,2-3H3,(H,11,12)
InChIKeyJTYJVEKNVDAJEV-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.44
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

N-(5-methoxy-2-methyl-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 106660217
N-benzyl-5-methoxy-2-methylpyridin-4-amine
CID 106660226
N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
N-(5-methoxy-2-methyl-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 106660920
N-[(2-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660234
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
5-methoxy-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-4-amine
CID 106660523
3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291
N'-ethyl-N-(5-methoxy-2-methyl-4-pyridinyl)-N'-methylethane-1,2-diamine
CID 106660479
5-methoxy-2,4-dimethyl-N-prop-2-ynylaniline
CID 130654074
5-methoxy-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 106660447
1-[(5-methoxy-2-methyl-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153290

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine (CID 106660453) is 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine is C#CCNc1cc(C)ncc1OC.
What is the InChIKey of 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine?
The InChIKey is JTYJVEKNVDAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-5-11-9-6-8(2)12-7-10(9)13-3/h1,6-7H,5H2,2-3H3,(H,11,12).
What are the key properties of 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine?
5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine is sourced from PubChem (CID 106660453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).