5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione

C17H14N2O3 — CID 10308352

IUPAC5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)18-17(21)19-16(14)20/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyVHRRPAKGFQXNBM-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.41
Rot. Bonds3

About 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione

5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 10308352) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
PubChem CID10308352
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c(-c3ccccc3)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H14N2O3/c1-22-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)18-17(21)19-16(14)20/h2-10H,1H3,(H2,18,19,20,21)
InChIKeyVHRRPAKGFQXNBM-UHFFFAOYSA-N
XLogP2.41
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione (CID 10308352) is 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione is COc1ccc(-c2c(-c3ccccc3)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is VHRRPAKGFQXNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-13-9-7-11(8-10-13)14-15(12-5-3-2-4-6-12)18-17(21)19-16(14)20/h2-10H,1H3,(H2,18,19,20,21).
What are the key properties of 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10308352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).