6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione

C9H13F3N4O3 — CID 54933302

IUPAC6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O3/c1-19-3-2-16-6(13)5(7(17)15-8(16)18)14-4-9(10,11)12/h14H,2-4,13H2,1H3,(H,15,17,18)
InChIKeySOTKWXGCYCEKOW-UHFFFAOYSA-N
MW282.22 g/mol
LogP-0.26
Rot. Bonds5

About 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (PubChem CID 54933302) has the molecular formula C9H13F3N4O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
PubChem CID54933302
Molecular FormulaC9H13F3N4O3
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC Name6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13F3N4O3/c1-19-3-2-16-6(13)5(7(17)15-8(16)18)14-4-9(10,11)12/h14H,2-4,13H2,1H3,(H,15,17,18)
InChIKeySOTKWXGCYCEKOW-UHFFFAOYSA-N
XLogP-0.26
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (CID 54933302) is 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is COCCn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The InChIKey is SOTKWXGCYCEKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3/c1-19-3-2-16-6(13)5(7(17)15-8(16)18)14-4-9(10,11)12/h14H,2-4,13H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione has a molecular weight of 282.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54933302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).