5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one

C12H12FN3O — CID 84696567

IUPAC5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C12H12FN3O/c1-14-7-11-15-6-10(12(17)16-11)8-3-2-4-9(13)5-8/h2-6,14H,7H2,1H3,(H,15,16,17)
InChIKeyABXQPBUKDIAXCU-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.30
Rot. Bonds3

About 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one

5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 84696567) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID84696567
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C12H12FN3O/c1-14-7-11-15-6-10(12(17)16-11)8-3-2-4-9(13)5-8/h2-6,14H,7H2,1H3,(H,15,16,17)
InChIKeyABXQPBUKDIAXCU-UHFFFAOYSA-N
XLogP1.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 63108684
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
7-fluoro-2-(methylaminomethyl)-3H-quinazolin-4-one
CID 136661154
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
CID 157070146
4-ethyl-5-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 144787143
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 46312799
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylbutan-2-amine
CID 116877271
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
2-(3-fluorophenyl)-5-hydroxy-1H-pyrimidin-6-one
CID 118714566

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one (CID 84696567) is 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1ncc(-c2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is ABXQPBUKDIAXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-7-11-15-6-10(12(17)16-11)8-3-2-4-9(13)5-8/h2-6,14H,7H2,1H3,(H,15,16,17).
What are the key properties of 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 233.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84696567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).