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

C5H6FN3O — CID 135527970

IUPAC2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(CF)cc(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c6-2-3-1-4(10)9-5(7)8-3/h1H,2H2,(H3,7,8,9,10)
InChIKeyXTQWOAPXKGZVAP-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.18
Rot. Bonds1

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

2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135527970) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one
PubChem CID135527970
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one
SMILESNc1nc(CF)cc(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c6-2-3-1-4(10)9-5(7)8-3/h1H,2H2,(H3,7,8,9,10)
InChIKeyXTQWOAPXKGZVAP-UHFFFAOYSA-N
XLogP-0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-methylpyrimidin-4-one
CID 135402055
2-Cyanoamino-4-Hydroxy-6-Methylpyrimidine
CID 135454173
2-Amino-4-hydroxy-6-trifluoromethylpyrimidine
CID 135418580
2-Amino-5-fluoro-6-methylpyrimidin-4(1h)-one
CID 135455309
N-(4-hydroxy-6-methylpyrimidin-2-yl)acetamide
CID 135455254
Urea, (1,4-dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl)-
CID 135446460
2-(Dimethylamino)-6-methyl-3H-pyrimidin-4-one
CID 135627633
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
CID 136501118
2-Amino-6-fluoropyrimidin-4-ol
CID 135417083
4-ethyl-2-fluoro-1H-pyrimidin-6-one
CID 135810240
2-(Methylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135829729
2-Amino-6-(difluoromethyl)pyrimidin-4-ol
CID 136176622

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one (CID 135527970) is 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one is Nc1nc(CF)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is XTQWOAPXKGZVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-2-3-1-4(10)9-5(7)8-3/h1H,2H2,(H3,7,8,9,10).
What are the key properties of 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one?
2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 143.12 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(fluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135527970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).