4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one

C15H22N6O2 — CID 137213877

IUPAC4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCN(C)C(c3nc(C)no3)C2)n1
InChIInChI=1S/C15H22N6O2/c1-4-11-7-14(22)18-13(17-11)9-21-6-5-20(3)12(8-21)15-16-10(2)19-23-15/h7,12H,4-6,8-9H2,1-3H3,(H,17,18,22)
InChIKeyRQQOALOIMHDIAB-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.51
Rot. Bonds4

About 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 137213877) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID137213877
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2CCN(C)C(c3nc(C)no3)C2)n1
InChIInChI=1S/C15H22N6O2/c1-4-11-7-14(22)18-13(17-11)9-21-6-5-20(3)12(8-21)15-16-10(2)19-23-15/h7,12H,4-6,8-9H2,1-3H3,(H,17,18,22)
InChIKeyRQQOALOIMHDIAB-UHFFFAOYSA-N
XLogP0.51
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one (CID 137213877) is 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN2CCN(C)C(c3nc(C)no3)C2)n1.
What is the InChIKey of 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is RQQOALOIMHDIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-11-7-14(22)18-13(17-11)9-21-6-5-20(3)12(8-21)15-16-10(2)19-23-15/h7,12H,4-6,8-9H2,1-3H3,(H,17,18,22).
What are the key properties of 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 318.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137213877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).