1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine

C13H23N3O — CID 63197118

IUPAC1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1nc(C)cnc1C
InChIInChI=1S/C13H23N3O/c1-5-6-14-12(9-17-4)7-13-11(3)15-8-10(2)16-13/h8,12,14H,5-7,9H2,1-4H3
InChIKeyPFNBRYPBBRYJKR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.65
Rot. Bonds7

About 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine

1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine (PubChem CID 63197118) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine
PubChem CID63197118
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine
SMILESCCCNC(COC)Cc1nc(C)cnc1C
InChIInChI=1S/C13H23N3O/c1-5-6-14-12(9-17-4)7-13-11(3)15-8-10(2)16-13/h8,12,14H,5-7,9H2,1-4H3
InChIKeyPFNBRYPBBRYJKR-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine (CID 63197118) is 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine is CCCNC(COC)Cc1nc(C)cnc1C.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine?
The InChIKey is PFNBRYPBBRYJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-14-12(9-17-4)7-13-11(3)15-8-10(2)16-13/h8,12,14H,5-7,9H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine?
1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)-3-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 63197118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).