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

C6H5F4N3O — CID 175447659

IUPAC2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H5F4N3O/c7-4(6(8,9)10)2-1-3(14)13-5(11)12-2/h1,4H,(H3,11,12,13,14)
InChIKeyIWNDHBOOGCHIFX-UHFFFAOYSA-N
MW211.12 g/mol
LogP0.93
Rot. Bonds1

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

2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one (PubChem CID 175447659) has the molecular formula C6H5F4N3O and a molecular weight of 211.12 g/mol. Its IUPAC name is 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one
PubChem CID175447659
Molecular FormulaC6H5F4N3O
Molecular Weight211.12 g/mol
Exact Mass211.04
IUPAC Name2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H5F4N3O/c7-4(6(8,9)10)2-1-3(14)13-5(11)12-2/h1,4H,(H3,11,12,13,14)
InChIKeyIWNDHBOOGCHIFX-UHFFFAOYSA-N
XLogP0.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one (CID 175447659) is 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one is Nc1nc(C(F)C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is IWNDHBOOGCHIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N3O/c7-4(6(8,9)10)2-1-3(14)13-5(11)12-2/h1,4H,(H3,11,12,13,14).
What are the key properties of 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one?
2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 211.12 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,2,2,2-tetrafluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 175447659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).