3-amino-1,4,6-trimethylpyridin-2-one

C8H12N2O — CID 54015393

IUPAC3-amino-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1N
InChIInChI=1S/C8H12N2O/c1-5-4-6(2)10(3)8(11)7(5)9/h4H,9H2,1-3H3
InChIKeyKVGXMZIHGUJNQB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.58
Rot. Bonds

About 3-amino-1,4,6-trimethylpyridin-2-one

3-amino-1,4,6-trimethylpyridin-2-one (PubChem CID 54015393) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-amino-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1,4,6-trimethylpyridin-2-one
PubChem CID54015393
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-amino-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1N
InChIInChI=1S/C8H12N2O/c1-5-4-6(2)10(3)8(11)7(5)9/h4H,9H2,1-3H3
InChIKeyKVGXMZIHGUJNQB-UHFFFAOYSA-N
XLogP0.58
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-amino-1,4,6-trimethylpyridin-2-one (CID 54015393) is 3-amino-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-amino-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-amino-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1N.
What is the InChIKey of 3-amino-1,4,6-trimethylpyridin-2-one?
The InChIKey is KVGXMZIHGUJNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-4-6(2)10(3)8(11)7(5)9/h4H,9H2,1-3H3.
What are the key properties of 3-amino-1,4,6-trimethylpyridin-2-one?
3-amino-1,4,6-trimethylpyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 54015393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).