5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one

C16H17N3O4 — CID 72853280

IUPAC5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(COc2ccccc2)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H17N3O4/c20-15-13(16(21)19-6-8-22-9-7-19)10-17-14(18-15)11-23-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,17,18,20)
InChIKeyORQHHVXOJBMYQM-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.82
Rot. Bonds4

About 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one

5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one (PubChem CID 72853280) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one
PubChem CID72853280
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(COc2ccccc2)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H17N3O4/c20-15-13(16(21)19-6-8-22-9-7-19)10-17-14(18-15)11-23-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,17,18,20)
InChIKeyORQHHVXOJBMYQM-UHFFFAOYSA-N
XLogP0.82
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one (CID 72853280) is 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one is O=C(c1cnc(COc2ccccc2)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ORQHHVXOJBMYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15-13(16(21)19-6-8-22-9-7-19)10-17-14(18-15)11-23-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,17,18,20).
What are the key properties of 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one?
5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 315.33 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholine-4-carbonyl)-2-(phenoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 72853280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).