5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione

C17H14N2O3 — CID 152634012

IUPAC5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(OCc2ccccc2)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(19-17(21)18-15)22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20,21)
InChIKeyZEDGNFHXDULZID-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.31
Rot. Bonds4

About 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione

5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione (PubChem CID 152634012) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
PubChem CID152634012
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(OCc2ccccc2)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(19-17(21)18-15)22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20,21)
InChIKeyZEDGNFHXDULZID-UHFFFAOYSA-N
XLogP2.31
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione (CID 152634012) is 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione is O=c1[nH]c(OCc2ccccc2)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
The InChIKey is ZEDGNFHXDULZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(19-17(21)18-15)22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,18,19,20,21).
What are the key properties of 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione?
5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-phenylmethoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 152634012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).