2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C20H20FN5O — CID 11748865

IUPAC2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCNC(c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C20H20FN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3
InChIKeyFUNQYVHHYVHMGM-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.13
Rot. Bonds3

About 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 11748865) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID11748865
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCNC(c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C20H20FN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3
InChIKeyFUNQYVHHYVHMGM-UHFFFAOYSA-N
XLogP2.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 11748865) is 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCNC(c3ccc(F)cc3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is FUNQYVHHYVHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3.
What are the key properties of 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 365.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 11748865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).