4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one

C10H14F3N3O2 — CID 136842529

IUPAC4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
SMILESNCCc1cc(=O)[nH]c(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-18-4-2-8-15-7(1-3-14)5-9(17)16-8/h5H,1-4,6,14H2,(H,15,16,17)
InChIKeyPIECVGFDRIRUKC-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.39
Rot. Bonds6

About 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one

4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 136842529) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID136842529
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
SMILESNCCc1cc(=O)[nH]c(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c11-10(12,13)6-18-4-2-8-15-7(1-3-14)5-9(17)16-8/h5H,1-4,6,14H2,(H,15,16,17)
InChIKeyPIECVGFDRIRUKC-UHFFFAOYSA-N
XLogP0.39
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136303785
4-(2-aminoethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136303914
2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136842422
4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842423
2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1H-pyrimidin-6-one
CID 136842424
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842425
4-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842426
4-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842427
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1H-pyrimidin-6-one
CID 136842428
2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136842429
2-[2-(2,2-difluoroethoxy)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136842475
4-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842476

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one (CID 136842529) is 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one is NCCc1cc(=O)[nH]c(CCOCC(F)(F)F)n1.
What is the InChIKey of 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is PIECVGFDRIRUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c11-10(12,13)6-18-4-2-8-15-7(1-3-14)5-9(17)16-8/h5H,1-4,6,14H2,(H,15,16,17).
What are the key properties of 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one?
4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 265.23 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136842529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).