5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine

C22H26N6O — CID 176913126

IUPAC5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCc1cc(COc2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)ccn1
InChIInChI=1S/C22H26N6O/c1-16-13-17(7-8-24-16)15-29-22-21(23)25-14-20(26-22)18-3-5-19(6-4-18)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H2,23,25)
InChIKeyHUNMUHYOMGGMEG-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.76
Rot. Bonds5

About 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine

5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine (PubChem CID 176913126) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine
PubChem CID176913126
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine
SMILESCc1cc(COc2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)ccn1
InChIInChI=1S/C22H26N6O/c1-16-13-17(7-8-24-16)15-29-22-21(23)25-14-20(26-22)18-3-5-19(6-4-18)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H2,23,25)
InChIKeyHUNMUHYOMGGMEG-UHFFFAOYSA-N
XLogP2.76
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine (CID 176913126) is 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine is Cc1cc(COc2nc(-c3ccc(N4CCN(C)CC4)cc3)cnc2N)ccn1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine?
The InChIKey is HUNMUHYOMGGMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-16-13-17(7-8-24-16)15-29-22-21(23)25-14-20(26-22)18-3-5-19(6-4-18)28-11-9-27(2)10-12-28/h3-8,13-14H,9-12,15H2,1-2H3,(H2,23,25).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine?
5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(2-methyl-4-pyridinyl)methoxy]pyrazin-2-amine is sourced from PubChem (CID 176913126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).