2-pyrrolidin-2-ylpyrimidine

C8H11N3 — CID 18542479

IUPAC2-pyrrolidin-2-ylpyrimidine
SMILESc1cnc(C2CCCN2)nc1
InChIInChI=1S/C8H11N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5-7,9H,1,3-4H2
InChIKeyZSWGTTPYUUGGDI-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.90
Rot. Bonds1

About 2-pyrrolidin-2-ylpyrimidine

2-pyrrolidin-2-ylpyrimidine (PubChem CID 18542479) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylpyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-2-ylpyrimidine
PubChem CID18542479
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-pyrrolidin-2-ylpyrimidine
SMILESc1cnc(C2CCCN2)nc1
InChIInChI=1S/C8H11N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5-7,9H,1,3-4H2
InChIKeyZSWGTTPYUUGGDI-UHFFFAOYSA-N
XLogP0.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylpyrimidine?
The IUPAC name of 2-pyrrolidin-2-ylpyrimidine (CID 18542479) is 2-pyrrolidin-2-ylpyrimidine.
What is the SMILES notation for 2-pyrrolidin-2-ylpyrimidine?
The canonical SMILES for 2-pyrrolidin-2-ylpyrimidine is c1cnc(C2CCCN2)nc1.
What is the InChIKey of 2-pyrrolidin-2-ylpyrimidine?
The InChIKey is ZSWGTTPYUUGGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5-7,9H,1,3-4H2.
What are the key properties of 2-pyrrolidin-2-ylpyrimidine?
2-pyrrolidin-2-ylpyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylpyrimidine is sourced from PubChem (CID 18542479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).