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

C18H23FN4O — CID 135491321

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O
InChIInChI=1S/C18H23FN4O/c1-3-4-16-13(2)20-18(21-17(16)24)23-11-9-22(10-12-23)15-7-5-14(19)6-8-15/h5-8H,3-4,9-12H2,1-2H3,(H,20,21,24)
InChIKeyLZNQHGXFPQXMQZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.50
Rot. Bonds4

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135491321) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135491321
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O
InChIInChI=1S/C18H23FN4O/c1-3-4-16-13(2)20-18(21-17(16)24)23-11-9-22(10-12-23)15-7-5-14(19)6-8-15/h5-8H,3-4,9-12H2,1-2H3,(H,20,21,24)
InChIKeyLZNQHGXFPQXMQZ-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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Related Compounds

2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
6-Amino-2-(4-phenyl-1-piperazinyl)-4-pyrimidinol
CID 135400065
4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-phenyl-1-piperazinyl)-
CID 135417551
5-Ethyl-2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-6-methyl-3H-pyrimidin-4-one
CID 135477410
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135491328
3-(2-(Dimethylamino)ethyl)-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 24967884
3,5,6,7-Tetrahydro-2-(4-phenyl-1-piperazinyl)-4H-cyclopentapyrimidin-4-one
CID 135500938
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135417602
5-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135400037
6-methyl-5-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 135402502
N-[4-(diethylamino)phenyl]-N'-[6-oxo-4-(trifluoromethyl)-1,6-dihydro-2-pyrimidinyl]guanidine
CID 135426060
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135846106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one (CID 135491321) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is LZNQHGXFPQXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-4-16-13(2)20-18(21-17(16)24)23-11-9-22(10-12-23)15-7-5-14(19)6-8-15/h5-8H,3-4,9-12H2,1-2H3,(H,20,21,24).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one?
2-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).