2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol

C17H22N4O — CID 137154174

IUPAC2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol
SMILESCc1cc(-c2nccnc2N2CCN(C)CC2)cc(C)c1O
InChIInChI=1S/C17H22N4O/c1-12-10-14(11-13(2)16(12)22)15-17(19-5-4-18-15)21-8-6-20(3)7-9-21/h4-5,10-11,22H,6-9H2,1-3H3
InChIKeyVYVQQCIYIOUEGY-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.22
Rot. Bonds2

About 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol

2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol (PubChem CID 137154174) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol
PubChem CID137154174
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol
SMILESCc1cc(-c2nccnc2N2CCN(C)CC2)cc(C)c1O
InChIInChI=1S/C17H22N4O/c1-12-10-14(11-13(2)16(12)22)15-17(19-5-4-18-15)21-8-6-20(3)7-9-21/h4-5,10-11,22H,6-9H2,1-3H3
InChIKeyVYVQQCIYIOUEGY-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol (CID 137154174) is 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol is Cc1cc(-c2nccnc2N2CCN(C)CC2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol?
The InChIKey is VYVQQCIYIOUEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-10-14(11-13(2)16(12)22)15-17(19-5-4-18-15)21-8-6-20(3)7-9-21/h4-5,10-11,22H,6-9H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol?
2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol has a molecular weight of 298.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)pyrazin-2-yl]phenol is sourced from PubChem (CID 137154174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).