2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C8H8F3N3O2 — CID 135743677

IUPAC2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2n1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-1-2-14-6(16)3-5(15)13-7(14)12-4/h3-4,15H,1-2H2,(H,12,13)
InChIKeyGGXZASLIACHMJE-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.70
Rot. Bonds

About 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135743677) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID135743677
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(O)nc2n1CCC(C(F)(F)F)N2
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4-1-2-14-6(16)3-5(15)13-7(14)12-4/h3-4,15H,1-2H2,(H,12,13)
InChIKeyGGXZASLIACHMJE-UHFFFAOYSA-N
XLogP0.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 135743677) is 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1cc(O)nc2n1CCC(C(F)(F)F)N2.
What is the InChIKey of 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is GGXZASLIACHMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)4-1-2-14-6(16)3-5(15)13-7(14)12-4/h3-4,15H,1-2H2,(H,12,13).
What are the key properties of 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 235.16 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135743677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).