5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one

C7H8F3N3O2 — CID 103241923

IUPAC5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)1-2-15-6-4(11)5(14)12-3-13-6/h3H,1-2,11H2,(H,12,13,14)
InChIKeyQDMHNEULUYMISA-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.68
Rot. Bonds3

About 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one

5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one (PubChem CID 103241923) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
PubChem CID103241923
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)1-2-15-6-4(11)5(14)12-3-13-6/h3H,1-2,11H2,(H,12,13,14)
InChIKeyQDMHNEULUYMISA-UHFFFAOYSA-N
XLogP0.68
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one (CID 103241923) is 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one is Nc1c(OCCC(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one?
The InChIKey is QDMHNEULUYMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)1-2-15-6-4(11)5(14)12-3-13-6/h3H,1-2,11H2,(H,12,13,14).
What are the key properties of 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one?
5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one has a molecular weight of 223.15 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).