4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one

C5H4F3N3O — CID 135408606

IUPAC4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h1H,(H3,9,10,11,12)
InChIKeyRCAWEPKTQGJPBV-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.37
Rot. Bonds

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

4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135408606) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135408606
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h1H,(H3,9,10,11,12)
InChIKeyRCAWEPKTQGJPBV-UHFFFAOYSA-N
XLogP0.37
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135408606) is 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is RCAWEPKTQGJPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)4-10-2(9)1-3(12)11-4/h1H,(H3,9,10,11,12).
What are the key properties of 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 179.10 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).