4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione

C16H11ClN2O2 — CID 12830729

IUPAC4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione
SMILESO=C1N=C(c2ccc(Cl)cc2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-15(20)13(18-16(21)19-14)10-4-2-1-3-5-10/h1-9,13H,(H,18,21)
InChIKeyLLHWUFBLTSNUDD-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.16
Rot. Bonds2

About 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione

4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione (PubChem CID 12830729) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione
PubChem CID12830729
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione
SMILESO=C1N=C(c2ccc(Cl)cc2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-15(20)13(18-16(21)19-14)10-4-2-1-3-5-10/h1-9,13H,(H,18,21)
InChIKeyLLHWUFBLTSNUDD-UHFFFAOYSA-N
XLogP3.16
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
(2S)-5,6-dichloro-2-phenyl-1,2-dihydropyridine-3,4-dione
CID 98116020
4,6-diphenyl-1,6-dihydropyrimidine-2,5-dithione
CID 12830733
6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine
CID 71380053
3-(4-chlorophenyl)-5-phenyl-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 625219
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 58398991
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione (CID 12830729) is 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione is O=C1N=C(c2ccc(Cl)cc2)C(=O)C(c2ccccc2)N1.
What is the InChIKey of 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione?
The InChIKey is LLHWUFBLTSNUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-15(20)13(18-16(21)19-14)10-4-2-1-3-5-10/h1-9,13H,(H,18,21).
What are the key properties of 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione?
4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione has a molecular weight of 298.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-phenyl-1,6-dihydropyrimidine-2,5-dione is sourced from PubChem (CID 12830729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).