5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

C10H12F4N2O3 — CID 103473470

IUPAC5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(COCC(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C10H12F4N2O3/c1-2-5-7(17)15-6(16-8(5)18)3-19-4-10(13,14)9(11)12/h9H,2-4H2,1H3,(H2,15,16,17,18)
InChIKeyHPZPOJXAFGWVSB-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.45
Rot. Bonds6

About 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 103473470) has the molecular formula C10H12F4N2O3 and a molecular weight of 284.21 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
PubChem CID103473470
Molecular FormulaC10H12F4N2O3
Molecular Weight284.21 g/mol
Exact Mass284.08
IUPAC Name5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(COCC(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C10H12F4N2O3/c1-2-5-7(17)15-6(16-8(5)18)3-19-4-10(13,14)9(11)12/h9H,2-4H2,1H3,(H2,15,16,17,18)
InChIKeyHPZPOJXAFGWVSB-UHFFFAOYSA-N
XLogP1.45
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612110
5-ethyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954408
5-ethyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146610
4-hydroxy-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146611
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 103146612
4-hydroxy-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146613
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473469
4-hydroxy-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473471
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473472
4-hydroxy-5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473473
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113780656
4-hydroxy-5-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 113819702

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (CID 103473470) is 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is CCc1c(O)nc(COCC(F)(F)C(F)F)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is HPZPOJXAFGWVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2O3/c1-2-5-7(17)15-6(16-8(5)18)3-19-4-10(13,14)9(11)12/h9H,2-4H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 284.21 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 103473470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).