2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

C18H24N4O — CID 135497598

IUPAC2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C18H24N4O/c1-3-16-14(2)19-18(20-17(16)23)22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,20,23)
InChIKeyITVQXHAHERHVOX-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.96
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135497598) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135497598
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C18H24N4O/c1-3-16-14(2)19-18(20-17(16)23)22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,20,23)
InChIKeyITVQXHAHERHVOX-UHFFFAOYSA-N
XLogP1.96
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 156619932
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
5-Ethyl-2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-6-methyl-3H-pyrimidin-4-one
CID 135477410
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
2-(3,4-dihydro-2(1H)-isoquinolinyl)-6-methyl-5-(3-methylbutyl)-4(3H)-pyrimidinone
CID 135399497
4-Hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpyrimidine-5-carbonitrile
CID 135412483
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
2-[2-(3-(r)-Aminopiperidin-1-yl)-4,5-dimethyl-6-oxo-6h-pyrimidin-1-ylmethyl]benzonitrile
CID 11348315
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
11-Benzyl-5-(3-methylbutyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161725
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135497598) is 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ITVQXHAHERHVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-16-14(2)19-18(20-17(16)23)22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,20,23).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135497598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).