3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one

C17H22N4O — CID 45484869

IUPAC3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(CCc2ccccc2)nc(N2CCNCC2)cc1=O
InChIInChI=1S/C17H22N4O/c1-20-15(8-7-14-5-3-2-4-6-14)19-16(13-17(20)22)21-11-9-18-10-12-21/h2-6,13,18H,7-12H2,1H3
InChIKeyUPBKUNKBRJUBHM-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.98
Rot. Bonds4

About 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one

3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one (PubChem CID 45484869) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one
PubChem CID45484869
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one
SMILESCn1c(CCc2ccccc2)nc(N2CCNCC2)cc1=O
InChIInChI=1S/C17H22N4O/c1-20-15(8-7-14-5-3-2-4-6-14)19-16(13-17(20)22)21-11-9-18-10-12-21/h2-6,13,18H,7-12H2,1H3
InChIKeyUPBKUNKBRJUBHM-UHFFFAOYSA-N
XLogP0.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one (CID 45484869) is 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one is Cn1c(CCc2ccccc2)nc(N2CCNCC2)cc1=O.
What is the InChIKey of 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one?
The InChIKey is UPBKUNKBRJUBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20-15(8-7-14-5-3-2-4-6-14)19-16(13-17(20)22)21-11-9-18-10-12-21/h2-6,13,18H,7-12H2,1H3.
What are the key properties of 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one?
3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one has a molecular weight of 298.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-4-one is sourced from PubChem (CID 45484869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).