4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine

C11H16FN3O — CID 115416160

IUPAC4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
SMILESCN1CCCC1CCOc1cc(F)ncn1
InChIInChI=1S/C11H16FN3O/c1-15-5-2-3-9(15)4-6-16-11-7-10(12)13-8-14-11/h7-9H,2-6H2,1H3
InChIKeyNOQFNHWMWOBGRG-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.48
Rot. Bonds4

About 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine

4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine (PubChem CID 115416160) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
PubChem CID115416160
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
SMILESCN1CCCC1CCOc1cc(F)ncn1
InChIInChI=1S/C11H16FN3O/c1-15-5-2-3-9(15)4-6-16-11-7-10(12)13-8-14-11/h7-9H,2-6H2,1H3
InChIKeyNOQFNHWMWOBGRG-UHFFFAOYSA-N
XLogP1.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The IUPAC name of 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine (CID 115416160) is 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The canonical SMILES for 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine is CN1CCCC1CCOc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The InChIKey is NOQFNHWMWOBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15-5-2-3-9(15)4-6-16-11-7-10(12)13-8-14-11/h7-9H,2-6H2,1H3.
What are the key properties of 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine is sourced from PubChem (CID 115416160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).