5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine

C16H18FN5 — CID 56883380

IUPAC5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
SMILESFc1cnc(N2CC(c3cccnc3)C2)nc1N1CCCC1
InChIInChI=1S/C16H18FN5/c17-14-9-19-16(20-15(14)21-6-1-2-7-21)22-10-13(11-22)12-4-3-5-18-8-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChIKeyROCRCIAAXKFEBM-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.21
Rot. Bonds3

About 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine

5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine (PubChem CID 56883380) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
PubChem CID56883380
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
SMILESFc1cnc(N2CC(c3cccnc3)C2)nc1N1CCCC1
InChIInChI=1S/C16H18FN5/c17-14-9-19-16(20-15(14)21-6-1-2-7-21)22-10-13(11-22)12-4-3-5-18-8-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChIKeyROCRCIAAXKFEBM-UHFFFAOYSA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine (CID 56883380) is 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine is Fc1cnc(N2CC(c3cccnc3)C2)nc1N1CCCC1.
What is the InChIKey of 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is ROCRCIAAXKFEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c17-14-9-19-16(20-15(14)21-6-1-2-7-21)22-10-13(11-22)12-4-3-5-18-8-12/h3-5,8-9,13H,1-2,6-7,10-11H2.
What are the key properties of 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine?
5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 299.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-pyridin-3-ylazetidin-1-yl)-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 56883380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).