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

C12H17IN2O3 — CID 116745253

IUPAC4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C12H17IN2O3/c1-7-3-5-12(18-2,6-4-7)11-14-9(16)8(13)10(17)15-11/h7H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyORDZNOBUDMSTAL-UHFFFAOYSA-N
MW364.18 g/mol
LogP2.13
Rot. Bonds2

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

4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116745253) has the molecular formula C12H17IN2O3 and a molecular weight of 364.18 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116745253
Molecular FormulaC12H17IN2O3
Molecular Weight364.18 g/mol
Exact Mass364.03
IUPAC Name4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C12H17IN2O3/c1-7-3-5-12(18-2,6-4-7)11-14-9(16)8(13)10(17)15-11/h7H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyORDZNOBUDMSTAL-UHFFFAOYSA-N
XLogP2.13
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one (CID 116745253) is 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one is COC1(c2nc(O)c(I)c(=O)[nH]2)CCC(C)CC1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is ORDZNOBUDMSTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O3/c1-7-3-5-12(18-2,6-4-7)11-14-9(16)8(13)10(17)15-11/h7H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 364.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).