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

C11H15F3N4O2 — CID 137009571

IUPAC5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(CC(F)(F)F)CC2)nc[nH]c1=O
InChIInChI=1S/C11H15F3N4O2/c1-20-8-9(15-7-16-10(8)19)18-4-2-17(3-5-18)6-11(12,13)14/h7H,2-6H2,1H3,(H,15,16,19)
InChIKeyHBWZVXUKRRXWNY-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.46
Rot. Bonds3

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

5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137009571) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137009571
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESCOc1c(N2CCN(CC(F)(F)F)CC2)nc[nH]c1=O
InChIInChI=1S/C11H15F3N4O2/c1-20-8-9(15-7-16-10(8)19)18-4-2-17(3-5-18)6-11(12,13)14/h7H,2-6H2,1H3,(H,15,16,19)
InChIKeyHBWZVXUKRRXWNY-UHFFFAOYSA-N
XLogP0.46
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136728235
5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819405
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136932117
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136932120
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136932126
5-methoxy-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973716
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
4-(2,2-difluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136976581
4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136979148
5-methoxy-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009210
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 137009571) is 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is COc1c(N2CCN(CC(F)(F)F)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is HBWZVXUKRRXWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-20-8-9(15-7-16-10(8)19)18-4-2-17(3-5-18)6-11(12,13)14/h7H,2-6H2,1H3,(H,15,16,19).
What are the key properties of 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 292.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).