2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one

C18H23FN4O — CID 135491323

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O
InChIInChI=1S/C18H23FN4O/c1-3-6-14-13(2)20-18(21-17(14)24)23-11-9-22(10-12-23)16-8-5-4-7-15(16)19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,21,24)
InChIKeyGAGMVBNVXIKREK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135491323) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135491323
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O
InChIInChI=1S/C18H23FN4O/c1-3-6-14-13(2)20-18(21-17(14)24)23-11-9-22(10-12-23)16-8-5-4-7-15(16)19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,21,24)
InChIKeyGAGMVBNVXIKREK-UHFFFAOYSA-N
XLogP2.50
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one (CID 135491323) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is GAGMVBNVXIKREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-6-14-13(2)20-18(21-17(14)24)23-11-9-22(10-12-23)16-8-5-4-7-15(16)19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 330.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).