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

C10H15F3N4O2 — CID 54933303

IUPAC6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15F3N4O2/c1-5(2)3-17-7(14)6(8(18)16-9(17)19)15-4-10(11,12)13/h5,15H,3-4,14H2,1-2H3,(H,16,18,19)
InChIKeySCBLPXLUZSKMKY-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.75
Rot. Bonds4

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

6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (PubChem CID 54933303) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
PubChem CID54933303
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H15F3N4O2/c1-5(2)3-17-7(14)6(8(18)16-9(17)19)15-4-10(11,12)13/h5,15H,3-4,14H2,1-2H3,(H,16,18,19)
InChIKeySCBLPXLUZSKMKY-UHFFFAOYSA-N
XLogP0.75
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-1-(2-methylpropyl)-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-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione (CID 54933303) is 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
The InChIKey is SCBLPXLUZSKMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-5(2)3-17-7(14)6(8(18)16-9(17)19)15-4-10(11,12)13/h5,15H,3-4,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione?
6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54933303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).