6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione

C6H6ClFN2O2 — CID 112704318

IUPAC6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(Cl)c(F)c1=O
InChIInChI=1S/C6H6ClFN2O2/c1-2-10-5(11)3(8)4(7)9-6(10)12/h2H2,1H3,(H,9,12)
InChIKeyPPYIZLHZELBNRU-UHFFFAOYSA-N
MW192.58 g/mol
LogP0.35
Rot. Bonds1

About 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione

6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 112704318) has the molecular formula C6H6ClFN2O2 and a molecular weight of 192.58 g/mol. Its IUPAC name is 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID112704318
Molecular FormulaC6H6ClFN2O2
Molecular Weight192.58 g/mol
Exact Mass192.01
IUPAC Name6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(Cl)c(F)c1=O
InChIInChI=1S/C6H6ClFN2O2/c1-2-10-5(11)3(8)4(7)9-6(10)12/h2H2,1H3,(H,9,12)
InChIKeyPPYIZLHZELBNRU-UHFFFAOYSA-N
XLogP0.35
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.58
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione (CID 112704318) is 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione is CCn1c(=O)[nH]c(Cl)c(F)c1=O.
What is the InChIKey of 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is PPYIZLHZELBNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O2/c1-2-10-5(11)3(8)4(7)9-6(10)12/h2H2,1H3,(H,9,12).
What are the key properties of 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione?
6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 192.58 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 112704318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).