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

C17H21FN4O — CID 135477410

IUPAC5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O
InChIInChI=1S/C17H21FN4O/c1-3-13-12(2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)18/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)
InChIKeyDLGLIIKOLUNDGF-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.11
Rot. Bonds3

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

5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135477410) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135477410
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O
InChIInChI=1S/C17H21FN4O/c1-3-13-12(2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)18/h4-7H,3,8-11H2,1-2H3,(H,19,20,23)
InChIKeyDLGLIIKOLUNDGF-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135477410) is 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(c3ccccc3F)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DLGLIIKOLUNDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-3-13-12(2)19-17(20-16(13)23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)18/h4-7H,3,8-11H2,1-2H3,(H,19,20,23).
What are the key properties of 5-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-[4-(2-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-(2-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135477410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).