5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione

C11H17IN2O3 — CID 112548980

IUPAC5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(CCOC(C)(C)C)c1=O
InChIInChI=1S/C11H17IN2O3/c1-11(2,3)17-6-5-14-9(15)8(12)7-13(4)10(14)16/h7H,5-6H2,1-4H3
InChIKeyNNIMHNKWERVZSY-UHFFFAOYSA-N
MW352.17 g/mol
LogP0.97
Rot. Bonds3

About 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione

5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione (PubChem CID 112548980) has the molecular formula C11H17IN2O3 and a molecular weight of 352.17 g/mol. Its IUPAC name is 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
PubChem CID112548980
Molecular FormulaC11H17IN2O3
Molecular Weight352.17 g/mol
Exact Mass352.03
IUPAC Name5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione
SMILESCn1cc(I)c(=O)n(CCOC(C)(C)C)c1=O
InChIInChI=1S/C11H17IN2O3/c1-11(2,3)17-6-5-14-9(15)8(12)7-13(4)10(14)16/h7H,5-6H2,1-4H3
InChIKeyNNIMHNKWERVZSY-UHFFFAOYSA-N
XLogP0.97
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione (CID 112548980) is 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione is Cn1cc(I)c(=O)n(CCOC(C)(C)C)c1=O.
What is the InChIKey of 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is NNIMHNKWERVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O3/c1-11(2,3)17-6-5-14-9(15)8(12)7-13(4)10(14)16/h7H,5-6H2,1-4H3.
What are the key properties of 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione?
5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 352.17 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112548980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).