5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

C16H13N3O3 — CID 555860

IUPAC5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C([N+](=O)[O-])C(c2ccccc2)N1
InChIInChI=1S/C16H13N3O3/c20-16-17-13(11-7-3-1-4-8-11)15(19(21)22)14(18-16)12-9-5-2-6-10-12/h1-10,13H,(H2,17,18,20)
InChIKeyMNSGYEZSEDWFPL-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.69
Rot. Bonds3

About 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 555860) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID555860
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C([N+](=O)[O-])C(c2ccccc2)N1
InChIInChI=1S/C16H13N3O3/c20-16-17-13(11-7-3-1-4-8-11)15(19(21)22)14(18-16)12-9-5-2-6-10-12/h1-10,13H,(H2,17,18,20)
InChIKeyMNSGYEZSEDWFPL-UHFFFAOYSA-N
XLogP2.69
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-nitrophenoxy)-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 619303
sodium 4-hydroxy-3-nitro-2-phenyl-1,2-dihydropyrrol-5-one
CID 54611386
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
CID 2831696
(6R)-3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
CID 746944
methyl 4-(4-methyl-3-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842869
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745751
methyl 4-(2,4-dihydroxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843302
methyl 4-(2,4-dimethoxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844353
4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-phenyl-6-(4-phenylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 51347933

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 555860) is 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C([N+](=O)[O-])C(c2ccccc2)N1.
What is the InChIKey of 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is MNSGYEZSEDWFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16-17-13(11-7-3-1-4-8-11)15(19(21)22)14(18-16)12-9-5-2-6-10-12/h1-10,13H,(H2,17,18,20).
What are the key properties of 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 295.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 555860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).