6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one

C26H32N4O4 — CID 167440170

IUPAC6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(CN4CCN(CCOCCO)CC4)cc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C26H32N4O4/c1-33-23-8-6-22(7-9-23)25-18-24(27-26(32)28-25)21-4-2-20(3-5-21)19-30-12-10-29(11-13-30)14-16-34-17-15-31/h2-9,18,31H,10-17,19H2,1H3,(H,27,28,32)
InChIKeyHPWOMAPHQAXPLH-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.24
Rot. Bonds10

About 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one

6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one (PubChem CID 167440170) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one
PubChem CID167440170
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(CN4CCN(CCOCCO)CC4)cc3)[nH]c(=O)n2)cc1
InChIInChI=1S/C26H32N4O4/c1-33-23-8-6-22(7-9-23)25-18-24(27-26(32)28-25)21-4-2-20(3-5-21)19-30-12-10-29(11-13-30)14-16-34-17-15-31/h2-9,18,31H,10-17,19H2,1H3,(H,27,28,32)
InChIKeyHPWOMAPHQAXPLH-UHFFFAOYSA-N
XLogP2.24
TPSA90.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)-6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-1H-pyrimidin-2-one
CID 167440217
7-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-2-phenyl-3H-quinazolin-4-one
CID 167440198
6-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]-4-phenyl-1H-pyrimidin-2-one
CID 167440252
N-[2-(2-hydroxyethoxy)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71713187
1-[2-[2-(1-benzothiophen-6-yl)ethoxy]ethyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 139810877
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
methyl 2-[4-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]methoxy]phenyl]pyridine-4-carboxylate
CID 90862125
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide
CID 166367095
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 30704354

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one (CID 167440170) is 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one is COc1ccc(-c2cc(-c3ccc(CN4CCN(CCOCCO)CC4)cc3)[nH]c(=O)n2)cc1.
What is the InChIKey of 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one?
The InChIKey is HPWOMAPHQAXPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-23-8-6-22(7-9-23)25-18-24(27-26(32)28-25)21-4-2-20(3-5-21)19-30-12-10-29(11-13-30)14-16-34-17-15-31/h2-9,18,31H,10-17,19H2,1H3,(H,27,28,32).
What are the key properties of 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one?
6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one has a molecular weight of 464.57 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-4-(4-methoxyphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 167440170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).