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

C11H10FN3O — CID 83888556

IUPAC2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cnc(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C11H10FN3O/c1-13-9-6-14-10(15-11(9)16)7-4-2-3-5-8(7)12/h2-6,13H,1H3,(H,14,15,16)
InChIKeyMKQDGFZXQFGTBZ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.62
Rot. Bonds2

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

2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one (PubChem CID 83888556) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
PubChem CID83888556
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1cnc(-c2ccccc2F)[nH]c1=O
InChIInChI=1S/C11H10FN3O/c1-13-9-6-14-10(15-11(9)16)7-4-2-3-5-8(7)12/h2-6,13H,1H3,(H,14,15,16)
InChIKeyMKQDGFZXQFGTBZ-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 83888554
2-[2-(2-fluorophenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82475743
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
5-(2-fluorophenyl)-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 79439347
2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
3-amino-6-(2-fluorophenyl)-1H-pyrazin-2-one
CID 178183717
6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141970
5-fluoro-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 106516268
N-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
CID 10379759
5-(2-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
CID 63048813
2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one
CID 142874278
2-(aminomethyl)-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 84684502

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one (CID 83888556) is 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one is CNc1cnc(-c2ccccc2F)[nH]c1=O.
What is the InChIKey of 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is MKQDGFZXQFGTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-13-9-6-14-10(15-11(9)16)7-4-2-3-5-8(7)12/h2-6,13H,1H3,(H,14,15,16).
What are the key properties of 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one?
2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 83888556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).