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

C8H7F4N3O2 — CID 136931781

IUPAC3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1c(F)c(O)nc2n1C(C(F)(F)F)CCN2
InChIInChI=1S/C8H7F4N3O2/c9-4-5(16)14-7-13-2-1-3(8(10,11)12)15(7)6(4)17/h3,16H,1-2H2,(H,13,14)
InChIKeyRONSHMAPDBUMOC-UHFFFAOYSA-N
MW253.15 g/mol
LogP1.01
Rot. Bonds

About 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 136931781) has the molecular formula C8H7F4N3O2 and a molecular weight of 253.15 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID136931781
Molecular FormulaC8H7F4N3O2
Molecular Weight253.15 g/mol
Exact Mass253.05
IUPAC Name3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1c(F)c(O)nc2n1C(C(F)(F)F)CCN2
InChIInChI=1S/C8H7F4N3O2/c9-4-5(16)14-7-13-2-1-3(8(10,11)12)15(7)6(4)17/h3,16H,1-2H2,(H,13,14)
InChIKeyRONSHMAPDBUMOC-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 136931781) is 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1c(F)c(O)nc2n1C(C(F)(F)F)CCN2.
What is the InChIKey of 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is RONSHMAPDBUMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3O2/c9-4-5(16)14-7-13-2-1-3(8(10,11)12)15(7)6(4)17/h3,16H,1-2H2,(H,13,14).
What are the key properties of 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 253.15 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-6-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136931781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).