3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one

C16H13N3O4 — CID 22145451

IUPAC3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one
SMILESO=C1NC(c2ccccc2[N+](=O)[O-])=CCN1c1ccccc1O
InChIInChI=1S/C16H13N3O4/c20-15-8-4-3-7-14(15)18-10-9-12(17-16(18)21)11-5-1-2-6-13(11)19(22)23/h1-9,20H,10H2,(H,17,21)
InChIKeyCZVSZIWEHBXGHQ-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.87
Rot. Bonds3

About 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one

3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one (PubChem CID 22145451) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one
PubChem CID22145451
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one
SMILESO=C1NC(c2ccccc2[N+](=O)[O-])=CCN1c1ccccc1O
InChIInChI=1S/C16H13N3O4/c20-15-8-4-3-7-14(15)18-10-9-12(17-16(18)21)11-5-1-2-6-13(11)19(22)23/h1-9,20H,10H2,(H,17,21)
InChIKeyCZVSZIWEHBXGHQ-UHFFFAOYSA-N
XLogP2.87
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 3702104
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CID 898212
1-[2-(2-nitrophenyl)phenyl]-3H-indol-2-one
CID 142397302
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
5-amino-2-(2-nitrophenyl)-4H-pyrazol-3-one
CID 83535658
2-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenol
CID 9282188
4-(2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2844179
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
3-methyl-5-(2-nitrophenyl)-1,2,4-triazole-4-carboxylic acid
CID 174594366
5-(2-nitrophenyl)-2,3-dihydropyran-6-one
CID 121219341

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one (CID 22145451) is 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one is O=C1NC(c2ccccc2[N+](=O)[O-])=CCN1c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one?
The InChIKey is CZVSZIWEHBXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-15-8-4-3-7-14(15)18-10-9-12(17-16(18)21)11-5-1-2-6-13(11)19(22)23/h1-9,20H,10H2,(H,17,21).
What are the key properties of 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one?
3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one has a molecular weight of 311.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-6-(2-nitrophenyl)-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 22145451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).