5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one

C10H14N2O3 — CID 65331630

IUPAC5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-2-6-9(13)11-8(12-10(6)14)7-4-3-5-15-7/h7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyCZGOWJYRBRXMKL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.89
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 65331630) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID65331630
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCO2)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-2-6-9(13)11-8(12-10(6)14)7-4-3-5-15-7/h7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyCZGOWJYRBRXMKL-UHFFFAOYSA-N
XLogP0.89
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 63611434
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63612119
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331574
4-hydroxy-5-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331575
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
4-hydroxy-2-(oxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 65331632
2-(ethoxymethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 65668233
5-bromo-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66285757

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one (CID 65331630) is 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2CCCO2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is CZGOWJYRBRXMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-6-9(13)11-8(12-10(6)14)7-4-3-5-15-7/h7H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65331630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).