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

C15H15IN2O2 — CID 66284571

IUPAC4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2(c3ccccc3)CCCC2)nc(O)c1I
InChIInChI=1S/C15H15IN2O2/c16-11-12(19)17-14(18-13(11)20)15(8-4-5-9-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19,20)
InChIKeyUMARQFQBWCWHLR-UHFFFAOYSA-N
MW382.20 g/mol
LogP2.94
Rot. Bonds2

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

4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (PubChem CID 66284571) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
PubChem CID66284571
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2(c3ccccc3)CCCC2)nc(O)c1I
InChIInChI=1S/C15H15IN2O2/c16-11-12(19)17-14(18-13(11)20)15(8-4-5-9-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19,20)
InChIKeyUMARQFQBWCWHLR-UHFFFAOYSA-N
XLogP2.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one (CID 66284571) is 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is O=c1[nH]c(C2(c3ccccc3)CCCC2)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is UMARQFQBWCWHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-11-12(19)17-14(18-13(11)20)15(8-4-5-9-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19,20).
What are the key properties of 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 382.20 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(1-phenylcyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66284571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).