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

C11H17N3O3 — CID 79657437

IUPAC4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)N1CCOC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H17N3O3/c1-7(2)14-3-4-17-8(6-14)11-12-9(15)5-10(16)13-11/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,15,16)
InChIKeyAVJDTGLVKSXJND-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.26
Rot. Bonds2

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

4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 79657437) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID79657437
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)N1CCOC(c2nc(O)cc(=O)[nH]2)C1
InChIInChI=1S/C11H17N3O3/c1-7(2)14-3-4-17-8(6-14)11-12-9(15)5-10(16)13-11/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,15,16)
InChIKeyAVJDTGLVKSXJND-UHFFFAOYSA-N
XLogP0.26
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 79657437) is 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one is CC(C)N1CCOC(c2nc(O)cc(=O)[nH]2)C1.
What is the InChIKey of 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is AVJDTGLVKSXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)14-3-4-17-8(6-14)11-12-9(15)5-10(16)13-11/h5,7-8H,3-4,6H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79657437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).