3-amino-4,5,6-trimethyl-1H-pyridin-2-one

C8H12N2O — CID 67347229

IUPAC3-amino-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)c(C)c1C
InChIInChI=1S/C8H12N2O/c1-4-5(2)7(9)8(11)10-6(4)3/h9H2,1-3H3,(H,10,11)
InChIKeyRXRZDPPXGDMNDV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.88
Rot. Bonds

About 3-amino-4,5,6-trimethyl-1H-pyridin-2-one

3-amino-4,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 67347229) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-amino-4,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4,5,6-trimethyl-1H-pyridin-2-one
PubChem CID67347229
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-amino-4,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)c(C)c1C
InChIInChI=1S/C8H12N2O/c1-4-5(2)7(9)8(11)10-6(4)3/h9H2,1-3H3,(H,10,11)
InChIKeyRXRZDPPXGDMNDV-UHFFFAOYSA-N
XLogP0.88
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-5-ethyl-6-methyl-1H-pyridin-2-one
CID 481022
3-Amino-4,6-dimethyl-1H-pyridin-2-one
CID 586681
3,4,5,6-Tetramethylpyridin-2(1H)-one
CID 13433062
5-Amino-4,6-dimethylpyridin-2(1H)-one
CID 23008633
N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetamide
CID 586682
3-amino-5-bromo-4,6-dimethylpyridin-2(1H)-one
CID 14939933
3,5-Diamino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105476967
3-Amino-5,6-dimethyl-2(1H)-pyridinone
CID 10329362
3-amino-5-butyl-6-methylpyridin-2(1H)-one
CID 10375036
4,5,6-trimethylpyridin-2(1H)-one
CID 12589333
3-amino-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 15145500
3,4-diamino-5,6-dimethyl-1H-pyridin-2-one
CID 15195064

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 3-amino-4,5,6-trimethyl-1H-pyridin-2-one (CID 67347229) is 3-amino-4,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4,5,6-trimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(N)c(C)c1C.
What is the InChIKey of 3-amino-4,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is RXRZDPPXGDMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-5(2)7(9)8(11)10-6(4)3/h9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-4,5,6-trimethyl-1H-pyridin-2-one?
3-amino-4,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 67347229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).