4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one

C13H14FN3O — CID 137016292

IUPAC4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H14FN3O/c1-8(10-5-3-4-6-11(10)14)15-12-7-13(18)17-9(2)16-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyOFTVNFSCVQBCEZ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.39
Rot. Bonds3

About 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one

4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137016292) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID137016292
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H14FN3O/c1-8(10-5-3-4-6-11(10)14)15-12-7-13(18)17-9(2)16-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyOFTVNFSCVQBCEZ-UHFFFAOYSA-N
XLogP2.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974893
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974910
N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63586892
4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974797
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
6-N,2-diethyl-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940133
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
4-(4-hydroxypentan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957144
6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 137016292) is 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)c2ccccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OFTVNFSCVQBCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8(10-5-3-4-6-11(10)14)15-12-7-13(18)17-9(2)16-12/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 247.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137016292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).