1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one

C19H27N3O3 — CID 22004330

IUPAC1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
SMILESCOCC(COC)n1cc(C)nc(Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C19H27N3O3/c1-12-7-13(2)17(14(3)8-12)21-18-19(23)22(9-15(4)20-18)16(10-24-5)11-25-6/h7-9,16H,10-11H2,1-6H3,(H,20,21)
InChIKeyMTPGTMBFYFPQRF-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.05
Rot. Bonds7

About 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one

1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one (PubChem CID 22004330) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one.

Molecular Properties

Compound Name1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
PubChem CID22004330
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one
SMILESCOCC(COC)n1cc(C)nc(Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C19H27N3O3/c1-12-7-13(2)17(14(3)8-12)21-18-19(23)22(9-15(4)20-18)16(10-24-5)11-25-6/h7-9,16H,10-11H2,1-6H3,(H,20,21)
InChIKeyMTPGTMBFYFPQRF-UHFFFAOYSA-N
XLogP3.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 15485774
5-bromo-1-(1,3-dimethoxypropan-2-yl)-3-[4-(fluoromethoxy)-2,6-dimethylanilino]pyrazin-2-one
CID 56961969
5-bromo-1-(1,3-dimethoxypropan-2-yl)-3-(4-hydroxy-2,5-dimethylanilino)pyrazin-2-one
CID 71608502
6-(1-methoxybutan-2-yloxy)-2,5-dimethyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 139568782
N-[(2R)-2-(3,5-dimethyl-2-oxo-1-pyridinyl)-3-methoxypropyl]cyclopropanesulfonamide
CID 167276508
6-methyl-1-pentan-3-yl-N-(2,4,6-trimethylphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 22253394
7-methyl-1-pentan-3-yl-5-(2,4,6-trimethylanilino)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 18386617
1-(1-methoxybutan-2-yl)-N,4-dimethylimidazol-2-amine
CID 106574676
N-(3,5-difluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106559723
1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one
CID 91163543
N-(2-ethyl-6-methylphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106555375
4-N-(2-methoxyethyl)-6-methyl-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112911416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The IUPAC name of 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one (CID 22004330) is 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one.
What is the SMILES notation for 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The canonical SMILES for 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one is COCC(COC)n1cc(C)nc(Nc2c(C)cc(C)cc2C)c1=O.
What is the InChIKey of 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The InChIKey is MTPGTMBFYFPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-7-13(2)17(14(3)8-12)21-18-19(23)22(9-15(4)20-18)16(10-24-5)11-25-6/h7-9,16H,10-11H2,1-6H3,(H,20,21).
What are the key properties of 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one has a molecular weight of 345.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethoxypropan-2-yl)-5-methyl-3-(2,4,6-trimethylanilino)pyrazin-2-one is sourced from PubChem (CID 22004330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).