3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine

C16H21N3O — CID 106681436

IUPAC3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1c(C)cc(C)cc1OC
InChIInChI=1S/C16H21N3O/c1-5-6-18-16-15(17-7-8-19-16)14-12(3)9-11(2)10-13(14)20-4/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyZTRNWERZKFNSRT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.59
Rot. Bonds5

About 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine

3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine (PubChem CID 106681436) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine
PubChem CID106681436
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1c(C)cc(C)cc1OC
InChIInChI=1S/C16H21N3O/c1-5-6-18-16-15(17-7-8-19-16)14-12(3)9-11(2)10-13(14)20-4/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyZTRNWERZKFNSRT-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-propylpyrazin-2-amine
CID 112559373
5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106681518
3-(3-bromo-4-methoxyphenyl)-N-propylpyrazin-2-amine
CID 112559397
5-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 106681496
3-(2-methoxy-4,6-dimethylphenyl)-N,5,6-trimethylpyrazin-2-amine
CID 106681508
3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine
CID 107514569
6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 82478111
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 106681515
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
3-(2-methylquinolin-6-yl)-N-propylpyrazin-2-amine
CID 81230913
3-(2-fluoro-4,6-dimethylphenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 106882788
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine (CID 106681436) is 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1c(C)cc(C)cc1OC.
What is the InChIKey of 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine?
The InChIKey is ZTRNWERZKFNSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-6-18-16-15(17-7-8-19-16)14-12(3)9-11(2)10-13(14)20-4/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine?
3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,6-dimethylphenyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 106681436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).