5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione

C8H11FN2O3 — CID 57399553

IUPAC5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1cc(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-14-5-11-4-6(2-3-9)7(12)10-8(11)13/h4H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyAYAXAYSRIXJSDM-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.35
Rot. Bonds4

About 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione

5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione (PubChem CID 57399553) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
PubChem CID57399553
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1cc(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-14-5-11-4-6(2-3-9)7(12)10-8(11)13/h4H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyAYAXAYSRIXJSDM-UHFFFAOYSA-N
XLogP-0.35
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione (CID 57399553) is 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione is COCn1cc(CCF)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
The InChIKey is AYAXAYSRIXJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-14-5-11-4-6(2-3-9)7(12)10-8(11)13/h4H,2-3,5H2,1H3,(H,10,12,13).
What are the key properties of 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 57399553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).