5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

C6H6F3N3O2 — CID 103240543

IUPAC5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)1-14-5-3(10)4(13)11-2-12-5/h2H,1,10H2,(H,11,12,13)
InChIKeyVJKPORABCDJEIU-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.29
Rot. Bonds2

About 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 103240543) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
PubChem CID103240543
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C6H6F3N3O2/c7-6(8,9)1-14-5-3(10)4(13)11-2-12-5/h2H,1,10H2,(H,11,12,13)
InChIKeyVJKPORABCDJEIU-UHFFFAOYSA-N
XLogP0.29
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240553
5-amino-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240400
5-amino-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241782
5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241900
4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241907
5-amino-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241910
5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241923
4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241930
5-Amino-6-chloro-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705728
5-iodo-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 113792787
5-iodo-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675907
5-iodo-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 114676157

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (CID 103240543) is 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is Nc1c(OCC(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is VJKPORABCDJEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c7-6(8,9)1-14-5-3(10)4(13)11-2-12-5/h2H,1,10H2,(H,11,12,13).
What are the key properties of 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 209.13 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).