2-pyrrolidin-3-ylpyrimidine

C8H11N3 — CID 3767451

IUPAC2-pyrrolidin-3-ylpyrimidine
SMILESc1cnc(C2CCNC2)nc1
InChIInChI=1S/C8H11N3/c1-3-10-8(11-4-1)7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2
InChIKeyLPULOUDNRALULV-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.55
Rot. Bonds1

About 2-pyrrolidin-3-ylpyrimidine

2-pyrrolidin-3-ylpyrimidine (PubChem CID 3767451) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylpyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-3-ylpyrimidine
PubChem CID3767451
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-pyrrolidin-3-ylpyrimidine
SMILESc1cnc(C2CCNC2)nc1
InChIInChI=1S/C8H11N3/c1-3-10-8(11-4-1)7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2
InChIKeyLPULOUDNRALULV-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

Analyze 2-pyrrolidin-3-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylpyrimidine?
The IUPAC name of 2-pyrrolidin-3-ylpyrimidine (CID 3767451) is 2-pyrrolidin-3-ylpyrimidine.
What is the SMILES notation for 2-pyrrolidin-3-ylpyrimidine?
The canonical SMILES for 2-pyrrolidin-3-ylpyrimidine is c1cnc(C2CCNC2)nc1.
What is the InChIKey of 2-pyrrolidin-3-ylpyrimidine?
The InChIKey is LPULOUDNRALULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-10-8(11-4-1)7-2-5-9-6-7/h1,3-4,7,9H,2,5-6H2.
What are the key properties of 2-pyrrolidin-3-ylpyrimidine?
2-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 2-pyrrolidin-3-ylpyrimidine is sourced from PubChem (CID 3767451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).