(3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone

C12H16N2O4 — CID 115796270

IUPAC(3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1cnc(C(=O)C2CCOC2C)c(OC)n1
InChIInChI=1S/C12H16N2O4/c1-7-8(4-5-18-7)11(15)10-12(17-3)14-9(16-2)6-13-10/h6-8H,4-5H2,1-3H3
InChIKeyNEVKWQUCANJGAZ-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.10
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone

(3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 115796270) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID115796270
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone
SMILESCOc1cnc(C(=O)C2CCOC2C)c(OC)n1
InChIInChI=1S/C12H16N2O4/c1-7-8(4-5-18-7)11(15)10-12(17-3)14-9(16-2)6-13-10/h6-8H,4-5H2,1-3H3
InChIKeyNEVKWQUCANJGAZ-UHFFFAOYSA-N
XLogP1.10
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(thiolan-3-yl)methanone
CID 105126328
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759374
cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone
CID 103450024
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
CID 116747189
isoquinolin-5-yl-(2-methyloxolan-3-yl)methanone
CID 114970982
(3-methoxypyrazin-2-yl)-(oxolan-2-yl)methanone
CID 104514950
(2-fluoro-3-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 115792913
(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
(3,5-dimethoxypyrazin-2-yl)-(1,4-dioxan-2-yl)methanol
CID 115830736
(3,4-dibromothiophen-2-yl)-(2-methyloxolan-3-yl)methanone
CID 79759375
(4-iodophenyl)-(2-methyloxolan-3-yl)methanone
CID 79758034

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone (CID 115796270) is (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone is COc1cnc(C(=O)C2CCOC2C)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is NEVKWQUCANJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-8(4-5-18-7)11(15)10-12(17-3)14-9(16-2)6-13-10/h6-8H,4-5H2,1-3H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone?
(3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 252.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 115796270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).