3-phenylmethoxy-1H-pyrimidine-2,4-dione

C11H10N2O3 — CID 70289281

IUPAC3-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1OCc1ccccc1
InChIInChI=1S/C11H10N2O3/c14-10-6-7-12-11(15)13(10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,15)
InChIKeyQRJINZKIJSAZDG-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.17
Rot. Bonds3

About 3-phenylmethoxy-1H-pyrimidine-2,4-dione

3-phenylmethoxy-1H-pyrimidine-2,4-dione (PubChem CID 70289281) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-phenylmethoxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-phenylmethoxy-1H-pyrimidine-2,4-dione
PubChem CID70289281
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-phenylmethoxy-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1OCc1ccccc1
InChIInChI=1S/C11H10N2O3/c14-10-6-7-12-11(15)13(10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,15)
InChIKeyQRJINZKIJSAZDG-UHFFFAOYSA-N
XLogP0.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-phenylmethoxy-1H-pyrimidine-2,4-dione (CID 70289281) is 3-phenylmethoxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-phenylmethoxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-phenylmethoxy-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-1H-pyrimidine-2,4-dione?
The InChIKey is QRJINZKIJSAZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10-6-7-12-11(15)13(10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,15).
What are the key properties of 3-phenylmethoxy-1H-pyrimidine-2,4-dione?
3-phenylmethoxy-1H-pyrimidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70289281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).