4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one

C11H18N2O3 — CID 79201546

IUPAC4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(C)(C)OC)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-5-6-7-8(14)12-10(13-9(7)15)11(2,3)16-4/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyTUEOFRAIGLXETK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.31
Rot. Bonds4

About 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 79201546) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
PubChem CID79201546
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(C)(C)OC)[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-5-6-7-8(14)12-10(13-9(7)15)11(2,3)16-4/h5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyTUEOFRAIGLXETK-UHFFFAOYSA-N
XLogP1.31
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one (CID 79201546) is 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(C)(C)OC)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is TUEOFRAIGLXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-6-7-8(14)12-10(13-9(7)15)11(2,3)16-4/h5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79201546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).