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

C17H15N3O4 — CID 915709

IUPAC3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
SMILESCOc1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O
InChIInChI=1S/C17H15N3O4/c1-24-16-8-3-2-7-15(16)19-10-9-14(18-17(19)21)12-5-4-6-13(11-12)20(22)23/h2-9,11H,10H2,1H3,(H,18,21)
InChIKeyJIAGZNMPGSZKSD-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.17
Rot. Bonds4

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

3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one (PubChem CID 915709) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
PubChem CID915709
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
SMILESCOc1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O
InChIInChI=1S/C17H15N3O4/c1-24-16-8-3-2-7-15(16)19-10-9-14(18-17(19)21)12-5-4-6-13(11-12)20(22)23/h2-9,11H,10H2,1H3,(H,18,21)
InChIKeyJIAGZNMPGSZKSD-UHFFFAOYSA-N
XLogP3.17
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one (CID 915709) is 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one is COc1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one?
The InChIKey is JIAGZNMPGSZKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-16-8-3-2-7-15(16)19-10-9-14(18-17(19)21)12-5-4-6-13(11-12)20(22)23/h2-9,11H,10H2,1H3,(H,18,21).
What are the key properties of 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one?
3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one has a molecular weight of 325.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 915709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).