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

C10H16N2O3 — CID 63613630

IUPAC4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-6(2)8-9(13)11-7(4-5-15-3)12-10(8)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyZNWIBPFQGSAJFH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.79
Rot. Bonds4

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

4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63613630) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63613630
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-6(2)8-9(13)11-7(4-5-15-3)12-10(8)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyZNWIBPFQGSAJFH-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
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-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63613630) is 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one is COCCc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZNWIBPFQGSAJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(2)8-9(13)11-7(4-5-15-3)12-10(8)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 0.79, 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-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).