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

C5H4F3N3O — CID 135418580

IUPAC2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChIKeyZEPSVMLZBXDPGU-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.37
Rot. Bonds

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

2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135418580) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135418580
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChIKeyZEPSVMLZBXDPGU-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

2-Amino-6-methylpyrimidin-4-one
CID 135402055
2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135472882
2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
Urea, (1,4-dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl)-
CID 135446460
2-Amino-6-(fluoromethyl)pyrimidin-4(1h)-one
CID 135527970
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
CID 136501118
2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinol
CID 135484722
N-[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]thiourea
CID 135494826
2-amino-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1483271
2-Amino-6-fluoropyrimidin-4-ol
CID 135417083
2-Methoxy-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135504050

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135418580) is 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one is Nc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is ZEPSVMLZBXDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12).
What are the key properties of 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-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 2-amino-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135418580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).