1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one

C16H18N2O3 — CID 105126474

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one
SMILESCOc1cnc(C(=O)CCc2ccccc2C)c(OC)n1
InChIInChI=1S/C16H18N2O3/c1-11-6-4-5-7-12(11)8-9-13(19)15-16(21-3)18-14(20-2)10-17-15/h4-7,10H,8-9H2,1-3H3
InChIKeyRMYZPTCPOFCDES-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.62
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one

1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one (PubChem CID 105126474) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one
PubChem CID105126474
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one
SMILESCOc1cnc(C(=O)CCc2ccccc2C)c(OC)n1
InChIInChI=1S/C16H18N2O3/c1-11-6-4-5-7-12(11)8-9-13(19)15-16(21-3)18-14(20-2)10-17-15/h4-7,10H,8-9H2,1-3H3
InChIKeyRMYZPTCPOFCDES-UHFFFAOYSA-N
XLogP2.62
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 113404096
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
(3,5-dimethoxypyrazin-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125224
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-one
CID 105135461
1-(3-bromobut-3-enyl)-2-methylbenzene
CID 24721733
3-(2-methylphenyl)-1-(1-propylimidazol-2-yl)propan-1-one
CID 105100680
1-(4-methoxyphenyl)-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 91528734
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one (CID 105126474) is 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one is COc1cnc(C(=O)CCc2ccccc2C)c(OC)n1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is RMYZPTCPOFCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-6-4-5-7-12(11)8-9-13(19)15-16(21-3)18-14(20-2)10-17-15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one?
1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 286.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 105126474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).