2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one

C16H16FN3O4 — CID 70743745

IUPAC2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H16FN3O4/c17-11-1-3-12(4-2-11)24-10-14-18-9-13(15(21)19-14)16(22)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H,18,19,21)
InChIKeyOVUFQAWVDTWIFI-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.96
Rot. Bonds4

About 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one

2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (PubChem CID 70743745) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
PubChem CID70743745
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H16FN3O4/c17-11-1-3-12(4-2-11)24-10-14-18-9-13(15(21)19-14)16(22)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H,18,19,21)
InChIKeyOVUFQAWVDTWIFI-UHFFFAOYSA-N
XLogP0.96
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (CID 70743745) is 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is OVUFQAWVDTWIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-11-1-3-12(4-2-11)24-10-14-18-9-13(15(21)19-14)16(22)20-5-7-23-8-6-20/h1-4,9H,5-8,10H2,(H,18,19,21).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 333.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70743745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).