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

C8H9F2N3O — CID 136923910

IUPAC2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCCN2
InChIInChI=1S/C8H9F2N3O/c9-7(10)5-4-6(14)13-3-1-2-11-8(13)12-5/h4,7H,1-3H2,(H,11,12)
InChIKeyVFGYEUYLNHDGIL-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.00
Rot. Bonds1

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

2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 136923910) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID136923910
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)F)nc2n1CCCN2
InChIInChI=1S/C8H9F2N3O/c9-7(10)5-4-6(14)13-3-1-2-11-8(13)12-5/h4,7H,1-3H2,(H,11,12)
InChIKeyVFGYEUYLNHDGIL-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-1H,2H,3H,4H,6H-pyrimido[1,2-a][1,3]diazin-6-one
CID 136303942
N-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-N-propylacetamide
CID 172437682
8-hydroxy-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
CID 135743677
(S)-8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
CID 136238740
2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
6-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079855
3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079856
8-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
CID 135743676
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243
(8R)-2-Chloro-1,6,7,8-tetrahydro-8-(trifluoromethyl)-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136238741
(8R)-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136359091
(8S)-2-hydroxy-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136359092

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 136923910) is 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)F)nc2n1CCCN2.
What is the InChIKey of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is VFGYEUYLNHDGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-7(10)5-4-6(14)13-3-1-2-11-8(13)12-5/h4,7H,1-3H2,(H,11,12).
What are the key properties of 2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-(difluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 201.18 g/mol, XLogP of 1.00, 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-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136923910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).