5-ethynyl-3,4-dimethylpyridin-2-amine

C9H10N2 — CID 74789582

IUPAC5-ethynyl-3,4-dimethylpyridin-2-amine
SMILESC#Cc1cnc(N)c(C)c1C
InChIInChI=1S/C9H10N2/c1-4-8-5-11-9(10)7(3)6(8)2/h1,5H,2-3H3,(H2,10,11)
InChIKeyRPWYHYUJQLQVAL-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.26
Rot. Bonds

About 5-ethynyl-3,4-dimethylpyridin-2-amine

5-ethynyl-3,4-dimethylpyridin-2-amine (PubChem CID 74789582) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-ethynyl-3,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-ethynyl-3,4-dimethylpyridin-2-amine
PubChem CID74789582
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-ethynyl-3,4-dimethylpyridin-2-amine
SMILESC#Cc1cnc(N)c(C)c1C
InChIInChI=1S/C9H10N2/c1-4-8-5-11-9(10)7(3)6(8)2/h1,5H,2-3H3,(H2,10,11)
InChIKeyRPWYHYUJQLQVAL-UHFFFAOYSA-N
XLogP1.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
5-bromo-3,4-dimethylpyridin-2-amine;ethane
CID 145431930
(1S)-1-(3-ethynyl-5-methyl-2-pyridinyl)ethanamine
CID 74788038
3-ethynyl-4-methyl-5,6,7,8-tetrahydroquinoline
CID 164587220
5-ethynyl-2,4-dimethylpyridine
CID 58117489
6-amino-5-iodo-4-methylpyridine-3-carbonitrile
CID 131521959
ethane;3-ethynyl-5-methylpyridin-4-amine
CID 145443442
3-ethynyl-5-(trifluoromethyl)pyridin-2-amine
CID 30772124
5-(2-chlorophenyl)-3,4-dimethylpyridin-2-amine
CID 69070173
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5-bromo-3-ethynylpyridin-2-amine;5-bromo-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 160524655
4-tert-butyl-5-ethynyl-2-methylpyridine
CID 177108892

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-3,4-dimethylpyridin-2-amine?
The IUPAC name of 5-ethynyl-3,4-dimethylpyridin-2-amine (CID 74789582) is 5-ethynyl-3,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-ethynyl-3,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-ethynyl-3,4-dimethylpyridin-2-amine is C#Cc1cnc(N)c(C)c1C.
What is the InChIKey of 5-ethynyl-3,4-dimethylpyridin-2-amine?
The InChIKey is RPWYHYUJQLQVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-4-8-5-11-9(10)7(3)6(8)2/h1,5H,2-3H3,(H2,10,11).
What are the key properties of 5-ethynyl-3,4-dimethylpyridin-2-amine?
5-ethynyl-3,4-dimethylpyridin-2-amine has a molecular weight of 146.19 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3,4-dimethylpyridin-2-amine is sourced from PubChem (CID 74789582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).