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

C17H20N2O2 — CID 63611596

IUPAC5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(c3ccccc3)CCCC2)[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-2-13-14(20)18-16(19-15(13)21)17(10-6-7-11-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyIHMHHVWYZCQWRV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.90
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 63611596) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID63611596
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(c3ccccc3)CCCC2)[nH]c1=O
InChIInChI=1S/C17H20N2O2/c1-2-13-14(20)18-16(19-15(13)21)17(10-6-7-11-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyIHMHHVWYZCQWRV-UHFFFAOYSA-N
XLogP2.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (CID 63611596) is 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2(c3ccccc3)CCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is IHMHHVWYZCQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-13-14(20)18-16(19-15(13)21)17(10-6-7-11-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63611596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).