5-pyrrolidin-1-ylpyrimidine

C8H11N3 — CID 58109459

IUPAC5-pyrrolidin-1-ylpyrimidine
SMILESc1ncc(N2CCCC2)cn1
InChIInChI=1S/C8H11N3/c1-2-4-11(3-1)8-5-9-7-10-6-8/h5-7H,1-4H2
InChIKeyICKYEHSEVFFHNN-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.08
Rot. Bonds1

About 5-pyrrolidin-1-ylpyrimidine

5-pyrrolidin-1-ylpyrimidine (PubChem CID 58109459) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-pyrrolidin-1-ylpyrimidine
PubChem CID58109459
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name5-pyrrolidin-1-ylpyrimidine
SMILESc1ncc(N2CCCC2)cn1
InChIInChI=1S/C8H11N3/c1-2-4-11(3-1)8-5-9-7-10-6-8/h5-7H,1-4H2
InChIKeyICKYEHSEVFFHNN-UHFFFAOYSA-N
XLogP1.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-pyrrolidin-1-ylpyrimidine (CID 58109459) is 5-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-pyrrolidin-1-ylpyrimidine is c1ncc(N2CCCC2)cn1.
What is the InChIKey of 5-pyrrolidin-1-ylpyrimidine?
The InChIKey is ICKYEHSEVFFHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-4-11(3-1)8-5-9-7-10-6-8/h5-7H,1-4H2.
What are the key properties of 5-pyrrolidin-1-ylpyrimidine?
5-pyrrolidin-1-ylpyrimidine has a molecular weight of 149.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 58109459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).