2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

C8H9F2N3O — CID 125449552

IUPAC2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCNC2
InChIInChI=1S/C8H9F2N3O/c9-8(10)5-3-7(14)13-2-1-11-4-6(13)12-5/h3,8,11H,1-2,4H2
InChIKeyCJDKHVGIIRDJHZ-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.28
Rot. Bonds1

About 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one

2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 125449552) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID125449552
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCNC2
InChIInChI=1S/C8H9F2N3O/c9-8(10)5-3-7(14)13-2-1-11-4-6(13)12-5/h3,8,11H,1-2,4H2
InChIKeyCJDKHVGIIRDJHZ-UHFFFAOYSA-N
XLogP0.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one (CID 125449552) is 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is O=c1cc(C(F)F)nc2n1CCNC2.
What is the InChIKey of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is CJDKHVGIIRDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-8(10)5-3-7(14)13-2-1-11-4-6(13)12-5/h3,8,11H,1-2,4H2.
What are the key properties of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 201.18 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 125449552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).