2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine

C18H25N5 — CID 174337920

IUPAC2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine
SMILESCC(C)c1cncc(N2CCC(CC(C)c3cnccn3)C2)n1
InChIInChI=1S/C18H25N5/c1-13(2)16-9-20-11-18(22-16)23-7-4-15(12-23)8-14(3)17-10-19-5-6-21-17/h5-6,9-11,13-15H,4,7-8,12H2,1-3H3
InChIKeyWNBDVUJMNMLTTQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.41
Rot. Bonds5

About 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine

2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine (PubChem CID 174337920) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine
PubChem CID174337920
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine
SMILESCC(C)c1cncc(N2CCC(CC(C)c3cnccn3)C2)n1
InChIInChI=1S/C18H25N5/c1-13(2)16-9-20-11-18(22-16)23-7-4-15(12-23)8-14(3)17-10-19-5-6-21-17/h5-6,9-11,13-15H,4,7-8,12H2,1-3H3
InChIKeyWNBDVUJMNMLTTQ-UHFFFAOYSA-N
XLogP3.41
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine (CID 174337920) is 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine is CC(C)c1cncc(N2CCC(CC(C)c3cnccn3)C2)n1.
What is the InChIKey of 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is WNBDVUJMNMLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13(2)16-9-20-11-18(22-16)23-7-4-15(12-23)8-14(3)17-10-19-5-6-21-17/h5-6,9-11,13-15H,4,7-8,12H2,1-3H3.
What are the key properties of 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine?
2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 311.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[3-(2-pyrazin-2-ylpropyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 174337920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).