2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine

C13H20FN3O — CID 134533841

IUPAC2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCC2CCN(CCCF)C2)nc1
InChIInChI=1S/C13H20FN3O/c1-11-7-15-13(16-8-11)18-10-12-3-6-17(9-12)5-2-4-14/h7-8,12H,2-6,9-10H2,1H3
InChIKeyDOIPPILSNRGUGR-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.85
Rot. Bonds6

About 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine

2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine (PubChem CID 134533841) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
PubChem CID134533841
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCC2CCN(CCCF)C2)nc1
InChIInChI=1S/C13H20FN3O/c1-11-7-15-13(16-8-11)18-10-12-3-6-17(9-12)5-2-4-14/h7-8,12H,2-6,9-10H2,1H3
InChIKeyDOIPPILSNRGUGR-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine 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-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine (CID 134533841) is 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine is Cc1cnc(OCC2CCN(CCCF)C2)nc1.
What is the InChIKey of 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine?
The InChIKey is DOIPPILSNRGUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-11-7-15-13(16-8-11)18-10-12-3-6-17(9-12)5-2-4-14/h7-8,12H,2-6,9-10H2,1H3.
What are the key properties of 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine?
2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine has a molecular weight of 253.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 134533841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).