3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one

C10H14F2N4O — CID 178099242

IUPAC3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one
SMILESO=c1c(N2CCNCC2)cncn1CC(F)F
InChIInChI=1S/C10H14F2N4O/c11-9(12)6-16-7-14-5-8(10(16)17)15-3-1-13-2-4-15/h5,7,9,13H,1-4,6H2
InChIKeyIZUHZMNVZNEPLM-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.08
Rot. Bonds3

About 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one

3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one (PubChem CID 178099242) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one
PubChem CID178099242
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one
SMILESO=c1c(N2CCNCC2)cncn1CC(F)F
InChIInChI=1S/C10H14F2N4O/c11-9(12)6-16-7-14-5-8(10(16)17)15-3-1-13-2-4-15/h5,7,9,13H,1-4,6H2
InChIKeyIZUHZMNVZNEPLM-UHFFFAOYSA-N
XLogP-0.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4(1H)-Pyrimidinone, 5-(4-methyl-1-piperazinyl)-
CID 3073824
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
[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone
CID 155260534
3-[2-(2,2,2-Trifluoroethylamino)ethyl]pyrimidin-4-one
CID 63795974
2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115696888
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957809
5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009572
2-(5-amino-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 142232102
3-(2-Oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
CID 63769366
2-Amino-5-(piperazin-1-yl)pyrimidin-4(3H)-one
CID 71366859
4-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 136314596

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one (CID 178099242) is 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one is O=c1c(N2CCNCC2)cncn1CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one?
The InChIKey is IZUHZMNVZNEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c11-9(12)6-16-7-14-5-8(10(16)17)15-3-1-13-2-4-15/h5,7,9,13H,1-4,6H2.
What are the key properties of 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one?
3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one has a molecular weight of 244.24 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 178099242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).