6-chloro-5-phenyl-1H-pyrimidine-2,4-dione

C10H7ClN2O2 — CID 23648518

IUPAC6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
InChIKeyORRYLQRWCPCGJZ-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.38
Rot. Bonds1

About 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione

6-chloro-5-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 23648518) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
PubChem CID23648518
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
InChIKeyORRYLQRWCPCGJZ-UHFFFAOYSA-N
XLogP1.38
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione (CID 23648518) is 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is ORRYLQRWCPCGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15).
What are the key properties of 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
6-chloro-5-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 222.63 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).