6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione

C11H17F3N4O2 — CID 115486574

IUPAC6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCCCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17F3N4O2/c1-2-18-8(15)7(9(19)17-10(18)20)16-6-4-3-5-11(12,13)14/h16H,2-6,15H2,1H3,(H,17,19,20)
InChIKeyWZOFAHBPHRNNGG-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.28
Rot. Bonds6

About 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione (PubChem CID 115486574) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione
PubChem CID115486574
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCCCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H17F3N4O2/c1-2-18-8(15)7(9(19)17-10(18)20)16-6-4-3-5-11(12,13)14/h16H,2-6,15H2,1H3,(H,17,19,20)
InChIKeyWZOFAHBPHRNNGG-UHFFFAOYSA-N
XLogP1.28
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione (CID 115486574) is 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione is CCn1c(N)c(NCCCCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione?
The InChIKey is WZOFAHBPHRNNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-2-18-8(15)7(9(19)17-10(18)20)16-6-4-3-5-11(12,13)14/h16H,2-6,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione has a molecular weight of 294.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(5,5,5-trifluoropentylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 115486574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).