6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid

C10H12F3N5O4 — CID 25170097

IUPAC6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESNC1=NCCN1Cc1cc(=O)[nH]c(=O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N5O2.C2HF3O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5;3-2(4,5)1(6)7/h3H,1-2,4H2,(H2,9,10)(H2,11,12,14,15);(H,6,7)
InChIKeyXVKHQGRMDGTNSD-UHFFFAOYSA-N
MW323.23 g/mol
LogP-1.17
Rot. Bonds2

About 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid

6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid (PubChem CID 25170097) has the molecular formula C10H12F3N5O4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid
PubChem CID25170097
Molecular FormulaC10H12F3N5O4
Molecular Weight323.23 g/mol
Exact Mass323.08
IUPAC Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid
SMILESNC1=NCCN1Cc1cc(=O)[nH]c(=O)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N5O2.C2HF3O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5;3-2(4,5)1(6)7/h3H,1-2,4H2,(H2,9,10)(H2,11,12,14,15);(H,6,7)
InChIKeyXVKHQGRMDGTNSD-UHFFFAOYSA-N
XLogP-1.17
TPSA144.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid 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-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid (CID 25170097) is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid is NC1=NCCN1Cc1cc(=O)[nH]c(=O)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid?
The InChIKey is XVKHQGRMDGTNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2.C2HF3O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5;3-2(4,5)1(6)7/h3H,1-2,4H2,(H2,9,10)(H2,11,12,14,15);(H,6,7).
What are the key properties of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid?
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid has a molecular weight of 323.23 g/mol, XLogP of -1.17, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 25170097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).