6-(fluoromethyl)-1-methylpyrimidine-2,4-dione

C6H7FN2O2 — CID 89104245

IUPAC6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)[nH]c1=O
InChIInChI=1S/C6H7FN2O2/c1-9-4(3-7)2-5(10)8-6(9)11/h2H,3H2,1H3,(H,8,10,11)
InChIKeyZCWVTJLNRIWOCQ-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.46
Rot. Bonds1

About 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione

6-(fluoromethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 89104245) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
PubChem CID89104245
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name6-(fluoromethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(CF)cc(=O)[nH]c1=O
InChIInChI=1S/C6H7FN2O2/c1-9-4(3-7)2-5(10)8-6(9)11/h2H,3H2,1H3,(H,8,10,11)
InChIKeyZCWVTJLNRIWOCQ-UHFFFAOYSA-N
XLogP-0.46
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione (CID 89104245) is 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione is Cn1c(CF)cc(=O)[nH]c1=O.
What is the InChIKey of 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is ZCWVTJLNRIWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c1-9-4(3-7)2-5(10)8-6(9)11/h2H,3H2,1H3,(H,8,10,11).
What are the key properties of 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione?
6-(fluoromethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 158.13 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 89104245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).