4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine

C13H15N5 — CID 73439388

IUPAC4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCc1cc(N2CCCC2c2cnccn2)ncn1
InChIInChI=1S/C13H15N5/c1-10-7-13(17-9-16-10)18-6-2-3-12(18)11-8-14-4-5-15-11/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyPQAKEEXABYTENK-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.92
Rot. Bonds2

About 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine

4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 73439388) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
PubChem CID73439388
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
SMILESCc1cc(N2CCCC2c2cnccn2)ncn1
InChIInChI=1S/C13H15N5/c1-10-7-13(17-9-16-10)18-6-2-3-12(18)11-8-14-4-5-15-11/h4-5,7-9,12H,2-3,6H2,1H3
InChIKeyPQAKEEXABYTENK-UHFFFAOYSA-N
XLogP1.92
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine (CID 73439388) is 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine is Cc1cc(N2CCCC2c2cnccn2)ncn1.
What is the InChIKey of 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is PQAKEEXABYTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-10-7-13(17-9-16-10)18-6-2-3-12(18)11-8-14-4-5-15-11/h4-5,7-9,12H,2-3,6H2,1H3.
What are the key properties of 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine?
4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 241.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 73439388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).