2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one

C10H16N2O3 — CID 116705668

IUPAC2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H16N2O3/c1-4-15-9(6(2)3)10-11-7(13)5-8(14)12-10/h5-6,9H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyFBBNOQHHEIAPFS-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.21
Rot. Bonds4

About 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705668) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705668
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C10H16N2O3/c1-4-15-9(6(2)3)10-11-7(13)5-8(14)12-10/h5-6,9H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyFBBNOQHHEIAPFS-UHFFFAOYSA-N
XLogP1.21
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 65668006
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
2-(ethoxymethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65668235
4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79203139
4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616994
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116705668) is 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(c1nc(O)cc(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FBBNOQHHEIAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-9(6(2)3)10-11-7(13)5-8(14)12-10/h5-6,9H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).