6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine

C13H22N4O2 — CID 103541978

IUPAC6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H22N4O2/c1-4-5-15-12-6-14-7-13(16-12)17-8-10(18-2)11(9-17)19-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyNYJFEWWAQCMTBO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.15
Rot. Bonds6

About 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine

6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine (PubChem CID 103541978) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine
PubChem CID103541978
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(N2CC(OC)C(OC)C2)n1
InChIInChI=1S/C13H22N4O2/c1-4-5-15-12-6-14-7-13(16-12)17-8-10(18-2)11(9-17)19-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyNYJFEWWAQCMTBO-UHFFFAOYSA-N
XLogP1.15
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine (CID 103541978) is 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine is CCCNc1cncc(N2CC(OC)C(OC)C2)n1.
What is the InChIKey of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine?
The InChIKey is NYJFEWWAQCMTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-15-12-6-14-7-13(16-12)17-8-10(18-2)11(9-17)19-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine?
6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine has a molecular weight of 266.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 103541978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).