1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione

C9H12F3N3O2 — CID 28608755

IUPAC1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C9H12F3N3O2/c1-14-4-6(3-13-5-9(10,11)12)7(16)15(2)8(14)17/h4,13H,3,5H2,1-2H3
InChIKeyUXOBXUOBJGBAGH-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.26
Rot. Bonds3

About 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 28608755) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
PubChem CID28608755
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C9H12F3N3O2/c1-14-4-6(3-13-5-9(10,11)12)7(16)15(2)8(14)17/h4,13H,3,5H2,1-2H3
InChIKeyUXOBXUOBJGBAGH-UHFFFAOYSA-N
XLogP-0.26
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione (CID 28608755) is 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is UXOBXUOBJGBAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-14-4-6(3-13-5-9(10,11)12)7(16)15(2)8(14)17/h4,13H,3,5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 251.21 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28608755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).