3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine

C15H18N2O — CID 528137

IUPAC3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine
SMILESCc1nc(CC(C)C)cnc1Oc1ccccc1
InChIInChI=1S/C15H18N2O/c1-11(2)9-13-10-16-15(12(3)17-13)18-14-7-5-4-6-8-14/h4-8,10-11H,9H2,1-3H3
InChIKeyVQFWHEXRDILCNY-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.78
Rot. Bonds4

About 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine

3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine (PubChem CID 528137) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine
PubChem CID528137
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine
SMILESCc1nc(CC(C)C)cnc1Oc1ccccc1
InChIInChI=1S/C15H18N2O/c1-11(2)9-13-10-16-15(12(3)17-13)18-14-7-5-4-6-8-14/h4-8,10-11H,9H2,1-3H3
InChIKeyVQFWHEXRDILCNY-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine 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

2-Phenoxypyrazine
CID 470937
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
2-Methyl-3-phenoxypyridine
CID 12673496
2-Methyl-5-phenoxypyridine
CID 12673497
3-[(6-Methylpyrazin-2-yl)oxy]aniline
CID 24229682
4-((Pyrazin-2-yl)methoxy)aniline
CID 39204777
{4-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol
CID 24229691
4-[(6-Methylpyrazin-2-yl)oxy]benzylamine
CID 24229693
N-Methyl-4-[(6-methylpyrazin-2-yl)oxy]benzylamine
CID 24229697
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2-Phenoxy-5-propan-2-ylpyrazine
CID 44328027
2,5-Dimethyl-3-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenoxy]pyrazine
CID 56707534

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine?
The IUPAC name of 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine (CID 528137) is 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine.
What is the SMILES notation for 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine?
The canonical SMILES for 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine is Cc1nc(CC(C)C)cnc1Oc1ccccc1.
What is the InChIKey of 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine?
The InChIKey is VQFWHEXRDILCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)9-13-10-16-15(12(3)17-13)18-14-7-5-4-6-8-14/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine?
3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine has a molecular weight of 242.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropyl)-2-phenoxypyrazine is sourced from PubChem (CID 528137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).