2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one

C15H18FN3O — CID 135846116

IUPAC2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2ccccc2F)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C15H18FN3O/c1-9(11-7-5-6-8-12(11)16)13-10(2)14(20)18-15(17-13)19(3)4/h5-9H,1-4H3,(H,17,18,20)
InChIKeyWAHXRFDWHPUJCJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.44
Rot. Bonds3

About 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one

2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 135846116) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID135846116
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2ccccc2F)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C15H18FN3O/c1-9(11-7-5-6-8-12(11)16)13-10(2)14(20)18-15(17-13)19(3)4/h5-9H,1-4H3,(H,17,18,20)
InChIKeyWAHXRFDWHPUJCJ-UHFFFAOYSA-N
XLogP2.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one (CID 135846116) is 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one is Cc1c(C(C)c2ccccc2F)nc(N(C)C)[nH]c1=O.
What is the InChIKey of 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is WAHXRFDWHPUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9(11-7-5-6-8-12(11)16)13-10(2)14(20)18-15(17-13)19(3)4/h5-9H,1-4H3,(H,17,18,20).
What are the key properties of 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 275.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[1-(2-fluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135846116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).