2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one

C5H5F3N4O — CID 1485918

IUPAC2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one
SMILESNc1nc(C(F)(F)F)cc(=O)n1N
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11)
InChIKeyRXJGGWLLRAKHDL-UHFFFAOYSA-N
MW194.12 g/mol
LogP-0.44
Rot. Bonds

About 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one

2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 1485918) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID1485918
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one
SMILESNc1nc(C(F)(F)F)cc(=O)n1N
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11)
InChIKeyRXJGGWLLRAKHDL-UHFFFAOYSA-N
XLogP-0.44
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one (CID 1485918) is 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one is Nc1nc(C(F)(F)F)cc(=O)n1N.
What is the InChIKey of 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is RXJGGWLLRAKHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(13)12(10)4(9)11-2/h1H,10H2,(H2,9,11).
What are the key properties of 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one?
2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 194.12 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 1485918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).