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

C5H4F3N3O — CID 135778510

IUPAC5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-2(9)4(12)11-1-10-3/h1H,9H2,(H,10,11,12)
InChIKeyLEZMFDHLSQRUGA-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.37
Rot. Bonds

About 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one

5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135778510) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135778510
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1c(C(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-2(9)4(12)11-1-10-3/h1H,9H2,(H,10,11,12)
InChIKeyLEZMFDHLSQRUGA-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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Related Compounds

4,5-Diaminohypoxanthine
CID 135436550
5-Amino-6-methylpyrimidin-4(1H)-one
CID 135464047
4-Pyrimidinol, 5-fluoro-6-(fluoromethyl)-
CID 135473506
5-Fluoro-6-methylpyrimidin-4-ol
CID 135435246
5-Iodo-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136066338
4-(difluoromethylidene)-1H-imidazol-5-one
CID 137083743
5-Fluoro-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 151251297
5-Amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one
CID 114582624
5-Amino-6-(difluoromethyl)pyrimidin-4(1H)-one
CID 136678712
6-(Difluoromethyl)-5-iodopyrimidin-4(3H)-one
CID 136743755
5-amino-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973712
5-Fluoro-1,6-dihydro-6-oxo-4-pyrimidinecarboxamide
CID 137180983

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135778510) is 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one is Nc1c(C(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is LEZMFDHLSQRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)3-2(9)4(12)11-1-10-3/h1H,9H2,(H,10,11,12).
What are the key properties of 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
5-amino-4-(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 5-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135778510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).