5-pyrrolidin-3-ylpyrimidine

C8H11N3 — CID 66996535

IUPAC5-pyrrolidin-3-ylpyrimidine
SMILESc1ncc(C2CCNC2)cn1
InChIInChI=1S/C8H11N3/c1-2-9-3-7(1)8-4-10-6-11-5-8/h4-7,9H,1-3H2
InChIKeyFYXLWTLBUNGETM-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.55
Rot. Bonds1

About 5-pyrrolidin-3-ylpyrimidine

5-pyrrolidin-3-ylpyrimidine (PubChem CID 66996535) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name5-pyrrolidin-3-ylpyrimidine
PubChem CID66996535
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-pyrrolidin-3-ylpyrimidine
SMILESc1ncc(C2CCNC2)cn1
InChIInChI=1S/C8H11N3/c1-2-9-3-7(1)8-4-10-6-11-5-8/h4-7,9H,1-3H2
InChIKeyFYXLWTLBUNGETM-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 5-pyrrolidin-3-ylpyrimidine (CID 66996535) is 5-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 5-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 5-pyrrolidin-3-ylpyrimidine is c1ncc(C2CCNC2)cn1.
What is the InChIKey of 5-pyrrolidin-3-ylpyrimidine?
The InChIKey is FYXLWTLBUNGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-9-3-7(1)8-4-10-6-11-5-8/h4-7,9H,1-3H2.
What are the key properties of 5-pyrrolidin-3-ylpyrimidine?
5-pyrrolidin-3-ylpyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 66996535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).