3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one

C12H18N2O2 — CID 82466705

IUPAC3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(C)n(CC2CCCO2)c(=O)c1N
InChIInChI=1S/C12H18N2O2/c1-8-6-9(2)14(12(15)11(8)13)7-10-4-3-5-16-10/h6,10H,3-5,7,13H2,1-2H3
InChIKeyPZPRBEPRQGEMMD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.23
Rot. Bonds2

About 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one

3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 82466705) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID82466705
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(C)n(CC2CCCO2)c(=O)c1N
InChIInChI=1S/C12H18N2O2/c1-8-6-9(2)14(12(15)11(8)13)7-10-4-3-5-16-10/h6,10H,3-5,7,13H2,1-2H3
InChIKeyPZPRBEPRQGEMMD-UHFFFAOYSA-N
XLogP1.23
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 112757079
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
4,6-dimethyl-1-(oxolan-2-ylmethyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
CID 82525591
4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
CID 124853578
5-amino-4-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 79356056
5-amino-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 165482338
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
cyclopentyl-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-dimethylazanium
CID 8875694
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4,6-dimethyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124859382
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 82466705) is 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one is Cc1cc(C)n(CC2CCCO2)c(=O)c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is PZPRBEPRQGEMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-9(2)14(12(15)11(8)13)7-10-4-3-5-16-10/h6,10H,3-5,7,13H2,1-2H3.
What are the key properties of 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82466705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).