2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C10H16N2O3 — CID 116705678

IUPAC2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-5-15-10(3,4)9-11-7(13)6(2)8(14)12-9/h5H2,1-4H3,(H2,11,12,13,14)
InChIKeyJVKNPCCVFVTYCQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.06
Rot. Bonds3

About 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705678) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116705678
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-5-15-10(3,4)9-11-7(13)6(2)8(14)12-9/h5H2,1-4H3,(H2,11,12,13,14)
InChIKeyJVKNPCCVFVTYCQ-UHFFFAOYSA-N
XLogP1.06
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473469
(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate
CID 58937973
4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 63612104
5-butoxy-2-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 69936887
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
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-methyl-1H-pyrimidin-6-one
CID 65668232
2-(ethoxymethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 65668233
5-ethyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201545

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116705678) is 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC(C)(C)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is JVKNPCCVFVTYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-15-10(3,4)9-11-7(13)6(2)8(14)12-9/h5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).