5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione

C5H3ClF2N2O2 — CID 99983465

IUPAC5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C(F)F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C5H3ClF2N2O2/c6-1-2(3(7)8)9-5(12)10-4(1)11/h3H,(H2,9,10,11,12)
InChIKeyPLFPQNIGDSCKDF-UHFFFAOYSA-N
MW196.54 g/mol
LogP0.65
Rot. Bonds1

About 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione

5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 99983465) has the molecular formula C5H3ClF2N2O2 and a molecular weight of 196.54 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID99983465
Molecular FormulaC5H3ClF2N2O2
Molecular Weight196.54 g/mol
Exact Mass195.99
IUPAC Name5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C(F)F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C5H3ClF2N2O2/c6-1-2(3(7)8)9-5(12)10-4(1)11/h3H,(H2,9,10,11,12)
InChIKeyPLFPQNIGDSCKDF-UHFFFAOYSA-N
XLogP0.65
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.54
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione (CID 99983465) is 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C(F)F)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PLFPQNIGDSCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O2/c6-1-2(3(7)8)9-5(12)10-4(1)11/h3H,(H2,9,10,11,12).
What are the key properties of 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione?
5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.54 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 99983465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).