3-(2-propoxyphenyl)-N-propylpyrazin-2-amine

C16H21N3O — CID 104663160

IUPAC3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccccc1OCCC
InChIInChI=1S/C16H21N3O/c1-3-9-18-16-15(17-10-11-19-16)13-7-5-6-8-14(13)20-12-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19)
InChIKeyDJZLLDUXDFCBTM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds7

About 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine

3-(2-propoxyphenyl)-N-propylpyrazin-2-amine (PubChem CID 104663160) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
PubChem CID104663160
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
SMILESCCCNc1nccnc1-c1ccccc1OCCC
InChIInChI=1S/C16H21N3O/c1-3-9-18-16-15(17-10-11-19-16)13-7-5-6-8-14(13)20-12-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19)
InChIKeyDJZLLDUXDFCBTM-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[2-(2-methoxyethoxy)phenyl]pyrazin-2-amine
CID 104663215
3-(2-ethylphenyl)-N-propylpyrazin-2-amine
CID 112559353
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
3-(2,3-difluoro-4-methylphenyl)-N-propylpyrazin-2-amine
CID 107514569
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
3-(2-propoxyphenyl)-1H-pyrazine-2-thione
CID 106521586
4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
CID 104663148
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
N-ethyl-3-(2-ethylphenyl)pyrazin-2-amine
CID 112559277
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663175
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583

Frequently Asked Questions

What is the IUPAC name of 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine?
The IUPAC name of 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine (CID 104663160) is 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine is CCCNc1nccnc1-c1ccccc1OCCC.
What is the InChIKey of 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine?
The InChIKey is DJZLLDUXDFCBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-18-16-15(17-10-11-19-16)13-7-5-6-8-14(13)20-12-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine?
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyphenyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 104663160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).