4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one

C11H17N3O3 — CID 79668768

IUPAC4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H17N3O3/c1-2-3-14-4-5-17-8(7-14)11-12-9(15)6-10(16)13-11/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16)
InChIKeyAWAZTJYHTNASSZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.26
Rot. Bonds3

About 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one

4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79668768) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79668768
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCCCN1CCOC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H17N3O3/c1-2-3-14-4-5-17-8(7-14)11-12-9(15)6-10(16)13-11/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16)
InChIKeyAWAZTJYHTNASSZ-UHFFFAOYSA-N
XLogP0.26
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79668768) is 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is CCCN1CCOC(c2nc(O)cc(=O)[nH]2)C1.
What is the InChIKey of 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is AWAZTJYHTNASSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-14-4-5-17-8(7-14)11-12-9(15)6-10(16)13-11/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79668768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).