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

C10H13F4N3O2 — CID 136890396

IUPAC4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(COCC(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C10H13F4N3O2/c1-2-5-7(15)16-6(17-8(5)18)3-19-4-10(13,14)9(11)12/h9H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyXJUVMLPISQSYRE-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.33
Rot. Bonds6

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

4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136890396) has the molecular formula C10H13F4N3O2 and a molecular weight of 283.22 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
PubChem CID136890396
Molecular FormulaC10H13F4N3O2
Molecular Weight283.22 g/mol
Exact Mass283.09
IUPAC Name4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(COCC(F)(F)C(F)F)[nH]c1=O
InChIInChI=1S/C10H13F4N3O2/c1-2-5-7(15)16-6(17-8(5)18)3-19-4-10(13,14)9(11)12/h9H,2-4H2,1H3,(H3,15,16,17,18)
InChIKeyXJUVMLPISQSYRE-UHFFFAOYSA-N
XLogP1.33
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.33
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-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146610
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473469
5-ethyl-4-hydroxy-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103473470
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
5-ethyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819703
4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 113819704
4-amino-5-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842416
4-amino-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842419

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one (CID 136890396) is 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is CCc1c(N)nc(COCC(F)(F)C(F)F)[nH]c1=O.
What is the InChIKey of 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is XJUVMLPISQSYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O2/c1-2-5-7(15)16-6(17-8(5)18)3-19-4-10(13,14)9(11)12/h9H,2-4H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one?
4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 283.22 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136890396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).