4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one

C10H16N2O3 — CID 79617235

IUPAC4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-5(2)7-9(13)11-8(6(3)15-4)12-10(7)14/h5-6H,1-4H3,(H2,11,12,13,14)
InChIKeyLHBDBHGJGUHBHJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.31
Rot. Bonds3

About 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 79617235) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID79617235
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-5(2)7-9(13)11-8(6(3)15-4)12-10(7)14/h5-6H,1-4H3,(H2,11,12,13,14)
InChIKeyLHBDBHGJGUHBHJ-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473473
5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819703
4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819704
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613803
4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
4-hydroxy-2-(2-methylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611775
4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 63611951
5-ethyl-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63612109
2-butan-2-yl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612307
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 79617235) is 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one is COC(C)c1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LHBDBHGJGUHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(2)7-9(13)11-8(6(3)15-4)12-10(7)14/h5-6H,1-4H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79617235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).