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

C6H6F3N3O2 — CID 175471479

IUPAC2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(O)c(C(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F3N3O2/c7-2(3(8)9)1-4(13)11-6(10)12-5(1)14/h2-3H,(H4,10,11,12,13,14)
InChIKeyCSIIBUYZVBPMPA-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.33
Rot. Bonds2

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

2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 175471479) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID175471479
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Name2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESNc1nc(O)c(C(F)C(F)F)c(=O)[nH]1
InChIInChI=1S/C6H6F3N3O2/c7-2(3(8)9)1-4(13)11-6(10)12-5(1)14/h2-3H,(H4,10,11,12,13,14)
InChIKeyCSIIBUYZVBPMPA-UHFFFAOYSA-N
XLogP0.33
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 175471479) is 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one is Nc1nc(O)c(C(F)C(F)F)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is CSIIBUYZVBPMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2/c7-2(3(8)9)1-4(13)11-6(10)12-5(1)14/h2-3H,(H4,10,11,12,13,14).
What are the key properties of 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 209.13 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-5-(1,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 175471479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).