5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one

C11H10FN3O — CID 115114391

IUPAC5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
SMILESNc1cn(Cc2cccc(F)c2)cnc1=O
InChIInChI=1S/C11H10FN3O/c12-9-3-1-2-8(4-9)5-15-6-10(13)11(16)14-7-15/h1-4,6-7H,5,13H2
InChIKeyQSCOQJYYFXCWLT-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.01
Rot. Bonds2

About 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one

5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 115114391) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID115114391
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
SMILESNc1cn(Cc2cccc(F)c2)cnc1=O
InChIInChI=1S/C11H10FN3O/c12-9-3-1-2-8(4-9)5-15-6-10(13)11(16)14-7-15/h1-4,6-7H,5,13H2
InChIKeyQSCOQJYYFXCWLT-UHFFFAOYSA-N
XLogP1.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one
CID 115114394
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
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4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
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1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
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3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
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1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
CID 83222946
3-N-[2-(3-fluorophenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078066
2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
CID 66404826
3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
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1-[(3-fluorophenyl)methyl]tetrazol-5-amine
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1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 79784814

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one (CID 115114391) is 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one is Nc1cn(Cc2cccc(F)c2)cnc1=O.
What is the InChIKey of 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is QSCOQJYYFXCWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-3-1-2-8(4-9)5-15-6-10(13)11(16)14-7-15/h1-4,6-7H,5,13H2.
What are the key properties of 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one?
5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 219.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115114391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).