2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one

C11H16N2O4 — CID 116745105

IUPAC2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H16N2O4/c1-2-17-11(3-5-16-6-4-11)10-12-8(14)7-9(15)13-10/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyFQKKRLVFAPYUFQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.52
Rot. Bonds3

About 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745105) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745105
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H16N2O4/c1-2-17-11(3-5-16-6-4-11)10-12-8(14)7-9(15)13-10/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyFQKKRLVFAPYUFQ-UHFFFAOYSA-N
XLogP0.52
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one
CID 113559536
5-bromo-2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559552
2-(4-ethoxyoxan-4-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 113559553
2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744922
2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744926
4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116745096
2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745098
4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 116745099
2-(1-ethoxycyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745100
4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116745101
2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745102

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745105) is 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one is CCOC1(c2nc(O)cc(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FQKKRLVFAPYUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-17-11(3-5-16-6-4-11)10-12-8(14)7-9(15)13-10/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).