2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one

C10H15IN2O2 — CID 116705922

IUPAC2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(I)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15IN2O2/c1-4-15-8(6(2)3)9-12-5-7(11)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,12,13,14)
InChIKeyXBBXMNMKNPYURH-UHFFFAOYSA-N
MW322.15 g/mol
LogP2.11
Rot. Bonds4

About 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one

2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 116705922) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one
PubChem CID116705922
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(I)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H15IN2O2/c1-4-15-8(6(2)3)9-12-5-7(11)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,12,13,14)
InChIKeyXBBXMNMKNPYURH-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 12489239
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(1,4-dioxan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 66314501
5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66314920
2-(1-ethoxyethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316168
2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316585
5-iodo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79078075
5-iodo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202819
5-iodo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616630
2-(4-ethylmorpholin-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 79666829
5-iodo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79668922
5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249170

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one (CID 116705922) is 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one is CCOC(c1ncc(I)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XBBXMNMKNPYURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-4-15-8(6(2)3)9-12-5-7(11)10(14)13-9/h5-6,8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 322.15 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116705922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).