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

C22H32N4O — CID 135762180

IUPAC2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C22H32N4O/c1-3-4-5-9-12-20-18(2)23-22(24-21(20)27)26-15-13-25(14-16-26)17-19-10-7-6-8-11-19/h6-8,10-11H,3-5,9,12-17H2,1-2H3,(H,23,24,27)
InChIKeyMUEBLZRQNSKUGV-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.52
Rot. Bonds8

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

2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135762180) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135762180
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C22H32N4O/c1-3-4-5-9-12-20-18(2)23-22(24-21(20)27)26-15-13-25(14-16-26)17-19-10-7-6-8-11-19/h6-8,10-11H,3-5,9,12-17H2,1-2H3,(H,23,24,27)
InChIKeyMUEBLZRQNSKUGV-UHFFFAOYSA-N
XLogP3.52
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135445386
5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135491325
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
5-benzyl-4-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135417579
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 136689559
1-benzyl-4-heptylpiperazine
CID 22088087
5-butyl-2-[3-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-4-methyl-1H-pyrimidin-6-one
CID 135906350
4-phenyl-2-(4-phenylpiperazin-1-yl)-5-propyl-1H-pyrimidin-6-one
CID 135644964
2-(4-benzhydrylpiperazin-1-yl)-5-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135644686
N-methyl-3-(4-methyl-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidin-5-yl)-N-phenylpropanamide
CID 155233546
2-(4-benzhydrylpiperazin-1-yl)-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135644719
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428214

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one (CID 135762180) is 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one is CCCCCCc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MUEBLZRQNSKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-3-4-5-9-12-20-18(2)23-22(24-21(20)27)26-15-13-25(14-16-26)17-19-10-7-6-8-11-19/h6-8,10-11H,3-5,9,12-17H2,1-2H3,(H,23,24,27).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one?
2-(4-benzylpiperazin-1-yl)-5-hexyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 368.53 g/mol, XLogP of 3.52, 8 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-hexyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135762180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).