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

C14H21IN2O2 — CID 66286365

IUPAC2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(C)C1CCC(c2nc(O)c(I)c(=O)[nH]2)CC1
InChIInChI=1S/C14H21IN2O2/c1-14(2,3)9-6-4-8(5-7-9)11-16-12(18)10(15)13(19)17-11/h8-9H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyZBXUVJKRNTWFHK-UHFFFAOYSA-N
MW376.24 g/mol
LogP3.40
Rot. Bonds1

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

2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66286365) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66286365
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC Name2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(C)C1CCC(c2nc(O)c(I)c(=O)[nH]2)CC1
InChIInChI=1S/C14H21IN2O2/c1-14(2,3)9-6-4-8(5-7-9)11-16-12(18)10(15)13(19)17-11/h8-9H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyZBXUVJKRNTWFHK-UHFFFAOYSA-N
XLogP3.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 53.40
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 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66286365) is 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CC(C)(C)C1CCC(c2nc(O)c(I)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ZBXUVJKRNTWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-14(2,3)9-6-4-8(5-7-9)11-16-12(18)10(15)13(19)17-11/h8-9H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 376.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66286365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).