2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine

C18H26N6O — CID 139654545

IUPAC2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
SMILESCc1ncc(OCCCCN2CCN(c3ncccn3)CC2)nc1C
InChIInChI=1S/C18H26N6O/c1-15-16(2)22-17(14-21-15)25-13-4-3-8-23-9-11-24(12-10-23)18-19-6-5-7-20-18/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeyGVBXOQLIBWCESI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.86
Rot. Bonds7

About 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine

2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine (PubChem CID 139654545) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
PubChem CID139654545
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
SMILESCc1ncc(OCCCCN2CCN(c3ncccn3)CC2)nc1C
InChIInChI=1S/C18H26N6O/c1-15-16(2)22-17(14-21-15)25-13-4-3-8-23-9-11-24(12-10-23)18-19-6-5-7-20-18/h5-7,14H,3-4,8-13H2,1-2H3
InChIKeyGVBXOQLIBWCESI-UHFFFAOYSA-N
XLogP1.86
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(5,6-dimethylpyrazin-2-yl)oxybutyl]piperazin-1-yl]-4,6-dimethoxypyrimidine
CID 139654546
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
CID 139654537
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 23368036
2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654548
2-[4-[4-(4-bromo-3-methylpyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine
CID 14726857
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]ethyl]cyclopentyl]acetate;dihydrochloride
CID 175673873
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
oxalic acid;4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl 2-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]ethyl]cyclopentyl]acetate
CID 129318583
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine?
The IUPAC name of 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine (CID 139654545) is 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine.
What is the SMILES notation for 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine?
The canonical SMILES for 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine is Cc1ncc(OCCCCN2CCN(c3ncccn3)CC2)nc1C.
What is the InChIKey of 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine?
The InChIKey is GVBXOQLIBWCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15-16(2)22-17(14-21-15)25-13-4-3-8-23-9-11-24(12-10-23)18-19-6-5-7-20-18/h5-7,14H,3-4,8-13H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine?
2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine has a molecular weight of 342.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine is sourced from PubChem (CID 139654545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).