6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine

C16H19N3O — CID 97124629

IUPAC6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc(C[C@H]2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-19(2)16-10-17-9-14(18-16)8-12-7-13-5-3-4-6-15(13)20-11-12/h3-6,9-10,12H,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyQVZIQKPKMBHQNJ-LBPRGKRZSA-N
MW269.35 g/mol
LogP2.34
Rot. Bonds3

About 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine

6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine (PubChem CID 97124629) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine
PubChem CID97124629
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc(C[C@H]2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-19(2)16-10-17-9-14(18-16)8-12-7-13-5-3-4-6-15(13)20-11-12/h3-6,9-10,12H,7-8,11H2,1-2H3/t12-/m0/s1
InChIKeyQVZIQKPKMBHQNJ-LBPRGKRZSA-N
XLogP2.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,5-dimethylpyrazine
CID 72868078
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,6-dimethylpyridine
CID 72872119
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
5-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97146960
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
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
3-pent-4-enyl-3,4-dihydro-2H-chromene
CID 163719188

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine (CID 97124629) is 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine is CN(C)c1cncc(C[C@H]2COc3ccccc3C2)n1.
What is the InChIKey of 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is QVZIQKPKMBHQNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)16-10-17-9-14(18-16)8-12-7-13-5-3-4-6-15(13)20-11-12/h3-6,9-10,12H,7-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine?
6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 97124629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).