5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione

C7H9FN2O2 — CID 139660900

IUPAC5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O2/c1-10-4-5(2-3-8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyCIWREDJVAKLULX-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.41
Rot. Bonds2

About 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione

5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 139660900) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione
PubChem CID139660900
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(CCF)c(=O)[nH]c1=O
InChIInChI=1S/C7H9FN2O2/c1-10-4-5(2-3-8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)
InChIKeyCIWREDJVAKLULX-UHFFFAOYSA-N
XLogP-0.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione (CID 139660900) is 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione is Cn1cc(CCF)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is CIWREDJVAKLULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-10-4-5(2-3-8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12).
What are the key properties of 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione?
5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 139660900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).