2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C13H20N2O2 — CID 65399847

IUPAC2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCCCC2)[nH]c1=O
InChIInChI=1S/C13H20N2O2/c1-2-10-12(16)14-11(15-13(10)17)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyNIDAMQOQVJCEPL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.48
Rot. Bonds2

About 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 65399847) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID65399847
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2CCCCCC2)[nH]c1=O
InChIInChI=1S/C13H20N2O2/c1-2-10-12(16)14-11(15-13(10)17)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyNIDAMQOQVJCEPL-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 65399847) is 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(C2CCCCCC2)[nH]c1=O.
What is the InChIKey of 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NIDAMQOQVJCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-10-12(16)14-11(15-13(10)17)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 65399847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).