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

C6H6F3N3O — CID 146502537

IUPAC6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1C(F)(F)CF
InChIInChI=1S/C6H6F3N3O/c7-2-6(8,9)3-1-11-5(13)12-4(3)10/h1H,2H2,(H3,10,11,12,13)
InChIKeyMFSLXBMGQIVOBU-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.41
Rot. Bonds2

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

6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one (PubChem CID 146502537) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one
PubChem CID146502537
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1C(F)(F)CF
InChIInChI=1S/C6H6F3N3O/c7-2-6(8,9)3-1-11-5(13)12-4(3)10/h1H,2H2,(H3,10,11,12,13)
InChIKeyMFSLXBMGQIVOBU-UHFFFAOYSA-N
XLogP0.41
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one (CID 146502537) is 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1C(F)(F)CF.
What is the InChIKey of 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one?
The InChIKey is MFSLXBMGQIVOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-2-6(8,9)3-1-11-5(13)12-4(3)10/h1H,2H2,(H3,10,11,12,13).
What are the key properties of 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one?
6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one has a molecular weight of 193.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1,1,2-trifluoroethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 146502537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).