2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine

C25H28N4 — CID 154720556

IUPAC2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine
SMILESCC1(c2ccccc2)CC(c2ccccc2)(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C25H28N4/c1-24(21-9-4-2-5-10-21)19-25(20-24,22-11-6-3-7-12-22)29-17-15-28(16-18-29)23-26-13-8-14-27-23/h2-14H,15-20H2,1H3
InChIKeyYPZSMZHKDBSIMK-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.25
Rot. Bonds4

About 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine

2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine (PubChem CID 154720556) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine
PubChem CID154720556
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine
SMILESCC1(c2ccccc2)CC(c2ccccc2)(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C25H28N4/c1-24(21-9-4-2-5-10-21)19-25(20-24,22-11-6-3-7-12-22)29-17-15-28(16-18-29)23-26-13-8-14-27-23/h2-14H,15-20H2,1H3
InChIKeyYPZSMZHKDBSIMK-UHFFFAOYSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 173316726
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 22240919
N'-phenyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 62362264
4-(4-methylphenyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 95811440
(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane
CID 123465502
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 41138717
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 24691066
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine (CID 154720556) is 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine is CC1(c2ccccc2)CC(c2ccccc2)(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine?
The InChIKey is YPZSMZHKDBSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-24(21-9-4-2-5-10-21)19-25(20-24,22-11-6-3-7-12-22)29-17-15-28(16-18-29)23-26-13-8-14-27-23/h2-14H,15-20H2,1H3.
What are the key properties of 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine?
2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine has a molecular weight of 384.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154720556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).