1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one

C12H18N2O2 — CID 103456303

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCc1cnc(N)c(C(=O)C(O)C(C)(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-7-5-8(11(13)14-6-7)9(15)10(16)12(2,3)4/h5-6,10,16H,1-4H3,(H2,13,14)
InChIKeyABCJRAWBEJOERN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.56
Rot. Bonds2

About 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one

1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one (PubChem CID 103456303) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
PubChem CID103456303
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
SMILESCc1cnc(N)c(C(=O)C(O)C(C)(C)C)c1
InChIInChI=1S/C12H18N2O2/c1-7-5-8(11(13)14-6-7)9(15)10(16)12(2,3)4/h5-6,10,16H,1-4H3,(H2,13,14)
InChIKeyABCJRAWBEJOERN-UHFFFAOYSA-N
XLogP1.56
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-2-methoxy-3,3-dimethylbutan-1-one
CID 116709569
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
CID 130913857
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-2-methylbutan-1-one
CID 116611000
2-tert-butyl-5-methylpyridine-3-carboxylic acid
CID 83915652
(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
CID 116583846
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
1-(2-fluoro-5-methylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456342
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one (CID 103456303) is 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one is Cc1cnc(N)c(C(=O)C(O)C(C)(C)C)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one?
The InChIKey is ABCJRAWBEJOERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-5-8(11(13)14-6-7)9(15)10(16)12(2,3)4/h5-6,10,16H,1-4H3,(H2,13,14).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one?
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103456303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).