3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C12H9F3N2O3 — CID 57145406

IUPAC3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1OCc1ccccc1
InChIInChI=1S/C12H9F3N2O3/c13-12(14,15)9-6-10(18)17(11(19)16-9)20-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,19)
InChIKeyRPIKFYYOPYMJJK-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.18
Rot. Bonds3

About 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 57145406) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID57145406
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1OCc1ccccc1
InChIInChI=1S/C12H9F3N2O3/c13-12(14,15)9-6-10(18)17(11(19)16-9)20-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,19)
InChIKeyRPIKFYYOPYMJJK-UHFFFAOYSA-N
XLogP1.18
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 57145406) is 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)F)[nH]c(=O)n1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RPIKFYYOPYMJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c13-12(14,15)9-6-10(18)17(11(19)16-9)20-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,19).
What are the key properties of 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 286.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 57145406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).