5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione

C11H14F3IN2O2 — CID 113327568

IUPAC5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESCCCn1cc(I)c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3IN2O2/c1-2-5-16-7-8(15)9(18)17(10(16)19)6-3-4-11(12,13)14/h7H,2-6H2,1H3
InChIKeyBELQEUOBUILHRX-UHFFFAOYSA-N
MW390.14 g/mol
LogP2.37
Rot. Bonds5

About 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione

5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (PubChem CID 113327568) has the molecular formula C11H14F3IN2O2 and a molecular weight of 390.14 g/mol. Its IUPAC name is 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
PubChem CID113327568
Molecular FormulaC11H14F3IN2O2
Molecular Weight390.14 g/mol
Exact Mass390.01
IUPAC Name5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
SMILESCCCn1cc(I)c(=O)n(CCCC(F)(F)F)c1=O
InChIInChI=1S/C11H14F3IN2O2/c1-2-5-16-7-8(15)9(18)17(10(16)19)6-3-4-11(12,13)14/h7H,2-6H2,1H3
InChIKeyBELQEUOBUILHRX-UHFFFAOYSA-N
XLogP2.37
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 52.37
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 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione (CID 113327568) is 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is CCCn1cc(I)c(=O)n(CCCC(F)(F)F)c1=O.
What is the InChIKey of 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
The InChIKey is BELQEUOBUILHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3IN2O2/c1-2-5-16-7-8(15)9(18)17(10(16)19)6-3-4-11(12,13)14/h7H,2-6H2,1H3.
What are the key properties of 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione?
5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione has a molecular weight of 390.14 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-propyl-3-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 113327568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).