5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine

C17H22BrN5O — CID 59251944

IUPAC5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine
SMILESCC(C)N1CCN(c2ccc(Oc3nc(Br)cnc3N)cc2)CC1
InChIInChI=1S/C17H22BrN5O/c1-12(2)22-7-9-23(10-8-22)13-3-5-14(6-4-13)24-17-16(19)20-11-15(18)21-17/h3-6,11-12H,7-10H2,1-2H3,(H2,19,20)
InChIKeyWIGXWFYFDYBFOM-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.14
Rot. Bonds4

About 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine

5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine (PubChem CID 59251944) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine
PubChem CID59251944
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC Name5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine
SMILESCC(C)N1CCN(c2ccc(Oc3nc(Br)cnc3N)cc2)CC1
InChIInChI=1S/C17H22BrN5O/c1-12(2)22-7-9-23(10-8-22)13-3-5-14(6-4-13)24-17-16(19)20-11-15(18)21-17/h3-6,11-12H,7-10H2,1-2H3,(H2,19,20)
InChIKeyWIGXWFYFDYBFOM-UHFFFAOYSA-N
XLogP3.14
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine (CID 59251944) is 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine is CC(C)N1CCN(c2ccc(Oc3nc(Br)cnc3N)cc2)CC1.
What is the InChIKey of 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine?
The InChIKey is WIGXWFYFDYBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-12(2)22-7-9-23(10-8-22)13-3-5-14(6-4-13)24-17-16(19)20-11-15(18)21-17/h3-6,11-12H,7-10H2,1-2H3,(H2,19,20).
What are the key properties of 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine?
5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine has a molecular weight of 392.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(4-propan-2-ylpiperazin-1-yl)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 59251944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).