3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine

C16H18N2O — CID 72868078

IUPAC3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(CC2COc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O/c1-11-9-17-12(2)15(18-11)8-13-7-14-5-3-4-6-16(14)19-10-13/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyPHEYPOZSPBNXIJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.89
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine

3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine (PubChem CID 72868078) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine
PubChem CID72868078
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(CC2COc3ccccc3C2)n1
InChIInChI=1S/C16H18N2O/c1-11-9-17-12(2)15(18-11)8-13-7-14-5-3-4-6-16(14)19-10-13/h3-6,9,13H,7-8,10H2,1-2H3
InChIKeyPHEYPOZSPBNXIJ-UHFFFAOYSA-N
XLogP2.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine 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

3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,6-dimethylpyridine
CID 72872119
5-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97146960
6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine
CID 97124629
3-(3,4-dihydro-2H-chromen-3-ylmethyl)pyridine
CID 72893239
1-[6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]ethanone
CID 97142947
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
CID 97130017
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete
CID 143711024
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
2-(3,4-dihydro-2H-chromen-3-yl)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 22105782
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine (CID 72868078) is 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine is Cc1cnc(C)c(CC2COc3ccccc3C2)n1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine?
The InChIKey is PHEYPOZSPBNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-9-17-12(2)15(18-11)8-13-7-14-5-3-4-6-16(14)19-10-13/h3-6,9,13H,7-8,10H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine?
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine has a molecular weight of 254.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine is sourced from PubChem (CID 72868078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).