2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine

C12H13N5 — CID 110254320

IUPAC2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine
SMILESc1cc(N2CCCC2c2cnccn2)ncn1
InChIInChI=1S/C12H13N5/c1-2-11(10-8-13-5-6-15-10)17(7-1)12-3-4-14-9-16-12/h3-6,8-9,11H,1-2,7H2
InChIKeyACHBGQHQPRKVTA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.61
Rot. Bonds2

About 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine

2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine (PubChem CID 110254320) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine.

Molecular Properties

Compound Name2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine
PubChem CID110254320
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine
SMILESc1cc(N2CCCC2c2cnccn2)ncn1
InChIInChI=1S/C12H13N5/c1-2-11(10-8-13-5-6-15-10)17(7-1)12-3-4-14-9-16-12/h3-6,8-9,11H,1-2,7H2
InChIKeyACHBGQHQPRKVTA-UHFFFAOYSA-N
XLogP1.61
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine?
The IUPAC name of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine (CID 110254320) is 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine.
What is the SMILES notation for 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine?
The canonical SMILES for 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine is c1cc(N2CCCC2c2cnccn2)ncn1.
What is the InChIKey of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine?
The InChIKey is ACHBGQHQPRKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-11(10-8-13-5-6-15-10)17(7-1)12-3-4-14-9-16-12/h3-6,8-9,11H,1-2,7H2.
What are the key properties of 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine?
2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine has a molecular weight of 227.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-4-ylpyrrolidin-2-yl)pyrazine is sourced from PubChem (CID 110254320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).