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

C17H21FN4O — CID 135491363

IUPAC5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O
InChIInChI=1S/C17H21FN4O/c1-3-15-12(2)19-17(20-16(15)23)22-10-8-21(9-11-22)14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)
InChIKeyBAPPPAQVQKCDCE-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.11
Rot. Bonds3

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

5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491363) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135491363
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O
InChIInChI=1S/C17H21FN4O/c1-3-15-12(2)19-17(20-16(15)23)22-10-8-21(9-11-22)14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)
InChIKeyBAPPPAQVQKCDCE-UHFFFAOYSA-N
XLogP2.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.11
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
5-(2-fluoro-4-iodophenylamino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
CID 24965727
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
1-[1-Ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-2-sulfanylidene-5-pyrimidinyl]ethanone
CID 1316596
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135491363) is 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(c3ccc(F)cc3)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BAPPPAQVQKCDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-15-12(2)19-17(20-16(15)23)22-10-8-21(9-11-22)14-6-4-13(18)5-7-14/h4-7H,3,8-11H2,1-2H3,(H,19,20,23).
What are the key properties of 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 316.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).