4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one

C13H14FN3O — CID 137015420

IUPAC4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2cccc(F)c2)cc(=O)[nH]1
InChIInChI=1S/C13H14FN3O/c1-9-16-12(8-13(18)17-9)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyKAFJQMPKUBKNQB-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.87
Rot. Bonds4

About 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one

4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137015420) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID137015420
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCc2cccc(F)c2)cc(=O)[nH]1
InChIInChI=1S/C13H14FN3O/c1-9-16-12(8-13(18)17-9)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyKAFJQMPKUBKNQB-UHFFFAOYSA-N
XLogP1.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-pyridin-3-ylethylamino)-1H-pyrimidin-6-one
CID 137015427
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
4-[(2-bromo-5-fluorophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974427
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-methyl-4-(3-phenylbutylamino)-1H-pyrimidin-6-one
CID 136956626
2-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136993657
6-chloro-2-N-[2-(3-fluorophenyl)ethyl]pyridine-2,4-diamine
CID 104923773
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 43400460
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
N-[2-(3-fluorophenyl)ethyl]quinolin-2-amine
CID 43400469

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 137015420) is 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCc2cccc(F)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KAFJQMPKUBKNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-16-12(8-13(18)17-9)15-6-5-10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 247.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137015420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).