1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione

C11H17IN2O2 — CID 79787598

IUPAC1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione
SMILESCCn1cc(I)c(=O)n(CCC(C)C)c1=O
InChIInChI=1S/C11H17IN2O2/c1-4-13-7-9(12)10(15)14(11(13)16)6-5-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyJLBILAUUTTZFHE-UHFFFAOYSA-N
MW336.17 g/mol
LogP1.68
Rot. Bonds4

About 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione

1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione (PubChem CID 79787598) has the molecular formula C11H17IN2O2 and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione
PubChem CID79787598
Molecular FormulaC11H17IN2O2
Molecular Weight336.17 g/mol
Exact Mass336.03
IUPAC Name1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione
SMILESCCn1cc(I)c(=O)n(CCC(C)C)c1=O
InChIInChI=1S/C11H17IN2O2/c1-4-13-7-9(12)10(15)14(11(13)16)6-5-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyJLBILAUUTTZFHE-UHFFFAOYSA-N
XLogP1.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 51.68
H-Bond Donors ≤ 50
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 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione (CID 79787598) is 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione is CCn1cc(I)c(=O)n(CCC(C)C)c1=O.
What is the InChIKey of 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione?
The InChIKey is JLBILAUUTTZFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2/c1-4-13-7-9(12)10(15)14(11(13)16)6-5-8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione?
1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione has a molecular weight of 336.17 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-iodo-3-(3-methylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 79787598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).