3-amino-4,6-dimethyl-1H-pyridin-2-one

C7H10N2O — CID 586681

IUPAC3-amino-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(N)c(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-4-3-5(2)9-7(10)6(4)8/h3H,8H2,1-2H3,(H,9,10)
InChIKeyJBISJJNEYJHFNE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.57
Rot. Bonds

About 3-amino-4,6-dimethyl-1H-pyridin-2-one

3-amino-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 586681) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-1H-pyridin-2-one
PubChem CID586681
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-amino-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(N)c(=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-4-3-5(2)9-7(10)6(4)8/h3H,8H2,1-2H3,(H,9,10)
InChIKeyJBISJJNEYJHFNE-UHFFFAOYSA-N
XLogP0.57
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-4,6-dimethyl-1H-pyridin-2-one (CID 586681) is 3-amino-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(N)c(=O)[nH]1.
What is the InChIKey of 3-amino-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is JBISJJNEYJHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-3-5(2)9-7(10)6(4)8/h3H,8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-4,6-dimethyl-1H-pyridin-2-one?
3-amino-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 586681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).