2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one

C11H10FN3O — CID 84684502

IUPAC2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one
SMILESNCc1ncc(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C11H10FN3O/c12-9-4-2-1-3-7(9)8-6-14-10(5-13)15-11(8)16/h1-4,6H,5,13H2,(H,14,15,16)
InChIKeyZCCIEXPQGJXCNL-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.03
Rot. Bonds2

About 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one

2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 84684502) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID84684502
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one
SMILESNCc1ncc(-c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C11H10FN3O/c12-9-4-2-1-3-7(9)8-6-14-10(5-13)15-11(8)16/h1-4,6H,5,13H2,(H,14,15,16)
InChIKeyZCCIEXPQGJXCNL-UHFFFAOYSA-N
XLogP1.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
CID 178183717
2-(3-aminopropyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438864
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877072
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65232799
2-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-phenylethanamine
CID 43651627
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 117260743
2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 83888556
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
[5-(2-fluorophenyl)-2H-triazol-4-yl]methanamine
CID 83484089

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one (CID 84684502) is 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one is NCc1ncc(-c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is ZCCIEXPQGJXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-4-2-1-3-7(9)8-6-14-10(5-13)15-11(8)16/h1-4,6H,5,13H2,(H,14,15,16).
What are the key properties of 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one?
2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84684502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).