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

C15H24N2O3 — CID 116745135

IUPAC2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(CC)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C15H24N2O3/c1-3-11-12(18)16-14(17-13(11)19)15(20-4-2)9-7-5-6-8-10-15/h3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyYEBZLKQSFPERKU-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.62
Rot. Bonds4

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

2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745135) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745135
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(CC)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C15H24N2O3/c1-3-11-12(18)16-14(17-13(11)19)15(20-4-2)9-7-5-6-8-10-15/h3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyYEBZLKQSFPERKU-UHFFFAOYSA-N
XLogP2.62
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
2-(1-ethoxycyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113559542
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745111

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 116745135) is 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCOC1(c2nc(O)c(CC)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is YEBZLKQSFPERKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-11-12(18)16-14(17-13(11)19)15(20-4-2)9-7-5-6-8-10-15/h3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).