2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one

C13H20N2O3 — CID 116745103

IUPAC2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCCCCC1
InChIInChI=1S/C13H20N2O3/c1-2-18-13(7-5-3-4-6-8-13)12-14-10(16)9-11(17)15-12/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyZJTODBNVNLIEJA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.06
Rot. Bonds3

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

2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745103) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745103
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCCCCC1
InChIInChI=1S/C13H20N2O3/c1-2-18-13(7-5-3-4-6-8-13)12-14-10(16)9-11(17)15-12/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyZJTODBNVNLIEJA-UHFFFAOYSA-N
XLogP2.06
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
4-[(1-aminocycloheptyl)methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 114586496
4-[(1-aminocycloheptyl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586498
2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744915
2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744924
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745103) is 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC1(c2nc(O)cc(=O)[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZJTODBNVNLIEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-18-13(7-5-3-4-6-8-13)12-14-10(16)9-11(17)15-12/h9H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).