4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one

C5H3Cl2FN2O — CID 137274255

IUPAC4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CF)nc(Cl)c1Cl
InChIInChI=1S/C5H3Cl2FN2O/c6-3-4(7)9-2(1-8)10-5(3)11/h1H2,(H,9,10,11)
InChIKeyOUGPMBTUEBMPLY-UHFFFAOYSA-N
MW197.00 g/mol
LogP1.55
Rot. Bonds1

About 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one

4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137274255) has the molecular formula C5H3Cl2FN2O and a molecular weight of 197.00 g/mol. Its IUPAC name is 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one
PubChem CID137274255
Molecular FormulaC5H3Cl2FN2O
Molecular Weight197.00 g/mol
Exact Mass195.96
IUPAC Name4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CF)nc(Cl)c1Cl
InChIInChI=1S/C5H3Cl2FN2O/c6-3-4(7)9-2(1-8)10-5(3)11/h1H2,(H,9,10,11)
InChIKeyOUGPMBTUEBMPLY-UHFFFAOYSA-N
XLogP1.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one (CID 137274255) is 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CF)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is OUGPMBTUEBMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2FN2O/c6-3-4(7)9-2(1-8)10-5(3)11/h1H2,(H,9,10,11).
What are the key properties of 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one?
4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 197.00 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(fluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137274255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).