5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C10H14F3N5O — CID 137009572

IUPAC5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCN(CC(F)(F)F)CC2)nc[nH]c1=O
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)5-17-1-3-18(4-2-17)8-7(14)9(19)16-6-15-8/h6H,1-5,14H2,(H,15,16,19)
InChIKeyPHEZHBIUFGIAOK-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.04
Rot. Bonds2

About 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009572) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009572
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCN(CC(F)(F)F)CC2)nc[nH]c1=O
InChIInChI=1S/C10H14F3N5O/c11-10(12,13)5-17-1-3-18(4-2-17)8-7(14)9(19)16-6-15-8/h6H,1-5,14H2,(H,15,16,19)
InChIKeyPHEZHBIUFGIAOK-UHFFFAOYSA-N
XLogP0.04
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-Difluoroethyl)-5-piperazin-1-ylpyrimidin-4-one
CID 178099242
5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232
5-amino-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786689
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932130
5-iodo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957806
5-bromo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957808
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957809
5-amino-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973712
5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975603
5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976577
5-amino-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976588

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137009572) is 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCN(CC(F)(F)F)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PHEZHBIUFGIAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c11-10(12,13)5-17-1-3-18(4-2-17)8-7(14)9(19)16-6-15-8/h6H,1-5,14H2,(H,15,16,19).
What are the key properties of 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 277.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).