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

C10H6ClFN2O2 — CID 23648521

IUPAC6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H6ClFN2O2/c11-8-7(9(15)14-10(16)13-8)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15,16)
InChIKeyMCYVCRAEPLBWQR-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.52
Rot. Bonds1

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

6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 23648521) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID23648521
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H6ClFN2O2/c11-8-7(9(15)14-10(16)13-8)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15,16)
InChIKeyMCYVCRAEPLBWQR-UHFFFAOYSA-N
XLogP1.52
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione (CID 23648521) is 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MCYVCRAEPLBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-8-7(9(15)14-10(16)13-8)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15,16).
What are the key properties of 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 240.62 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-fluorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).