1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione

C14H11FN4O3 — CID 142487374

IUPAC1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc(Oc3cccc(F)c3)nc2)C(=O)N1
InChIInChI=1S/C14H11FN4O3/c15-9-2-1-3-11(6-9)22-13-16-7-10(8-17-13)19-5-4-12(20)18-14(19)21/h1-3,6-8H,4-5H2,(H,18,20,21)
InChIKeyFRFNABYBIAFSLG-UHFFFAOYSA-N
MW302.27 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione

1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 142487374) has the molecular formula C14H11FN4O3 and a molecular weight of 302.27 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID142487374
Molecular FormulaC14H11FN4O3
Molecular Weight302.27 g/mol
Exact Mass302.08
IUPAC Name1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc(Oc3cccc(F)c3)nc2)C(=O)N1
InChIInChI=1S/C14H11FN4O3/c15-9-2-1-3-11(6-9)22-13-16-7-10(8-17-13)19-5-4-12(20)18-14(19)21/h1-3,6-8H,4-5H2,(H,18,20,21)
InChIKeyFRFNABYBIAFSLG-UHFFFAOYSA-N
XLogP1.85
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione (CID 142487374) is 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cnc(Oc3cccc(F)c3)nc2)C(=O)N1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is FRFNABYBIAFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3/c15-9-2-1-3-11(6-9)22-13-16-7-10(8-17-13)19-5-4-12(20)18-14(19)21/h1-3,6-8H,4-5H2,(H,18,20,21).
What are the key properties of 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 302.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 142487374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).