5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one

C10H15IN2O2 — CID 114676115

IUPAC5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
SMILESCC(C)CC(C)Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O2/c1-6(2)4-7(3)15-10-8(11)9(14)12-5-13-10/h5-7H,4H2,1-3H3,(H,12,13,14)
InChIKeyJEURITFCWIZNRN-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.19
Rot. Bonds4

About 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one

5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 114676115) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID114676115
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
SMILESCC(C)CC(C)Oc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN2O2/c1-6(2)4-7(3)15-10-8(11)9(14)12-5-13-10/h5-7H,4H2,1-3H3,(H,12,13,14)
InChIKeyJEURITFCWIZNRN-UHFFFAOYSA-N
XLogP2.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one (CID 114676115) is 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one is CC(C)CC(C)Oc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is JEURITFCWIZNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-6(2)4-7(3)15-10-8(11)9(14)12-5-13-10/h5-7H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 322.15 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).