2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C18H15FN4O2 — CID 59793866

IUPAC2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2ccccc2F)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyHGLSCSDJGJHBRH-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59793866) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59793866
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2ccccc2F)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,21,22)
InChIKeyHGLSCSDJGJHBRH-UHFFFAOYSA-N
XLogP2.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59793866) is 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(=O)c2ccccc2F)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is HGLSCSDJGJHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-23-17(25)10-15(12-6-8-20-9-7-12)22-18(23)21-11-16(24)13-4-2-3-5-14(13)19/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 338.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).