(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate

C14H14N2O3 — CID 10753668

IUPAC(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate
SMILESCOc1nc(OC(C)=O)c(-c2ccccc2)nc1C
InChIInChI=1S/C14H14N2O3/c1-9-13(18-3)16-14(19-10(2)17)12(15-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyFHPQYMOIVASKLN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.39
Rot. Bonds3

About (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate

(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate (PubChem CID 10753668) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate.

Molecular Properties

Compound Name(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate
PubChem CID10753668
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate
SMILESCOc1nc(OC(C)=O)c(-c2ccccc2)nc1C
InChIInChI=1S/C14H14N2O3/c1-9-13(18-3)16-14(19-10(2)17)12(15-9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKeyFHPQYMOIVASKLN-UHFFFAOYSA-N
XLogP2.39
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl] acetate
CID 141386587
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
2-methoxy-3-methyl-5-phenylpyrazine
CID 13123634
(3,4-dimethylquinolin-2-yl) acetate
CID 175492978
6-methoxy-5-methyl-3-phenyl-1H-pyrazin-2-one
CID 10536676
2-methoxy-3,5-diphenylpyrazine
CID 13123633
1,5,6-trimethoxy-3-phenylpyrazin-2-one
CID 91439199
(5-chloro-3-phenyl-1,2-thiazol-4-yl) acetate
CID 121219116
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate?
The IUPAC name of (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate (CID 10753668) is (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate.
What is the SMILES notation for (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate?
The canonical SMILES for (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate is COc1nc(OC(C)=O)c(-c2ccccc2)nc1C.
What is the InChIKey of (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate?
The InChIKey is FHPQYMOIVASKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-13(18-3)16-14(19-10(2)17)12(15-9)11-7-5-4-6-8-11/h4-8H,1-3H3.
What are the key properties of (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate?
(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate has a molecular weight of 258.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate is sourced from PubChem (CID 10753668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).