5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine

C14H16BrN5 — CID 16740447

IUPAC5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18)
InChIKeyIQNZGGJWXBMSKX-UHFFFAOYSA-N
MW334.22 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine

5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine (PubChem CID 16740447) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
PubChem CID16740447
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
SMILESNc1ncc(Br)nc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18)
InChIKeyIQNZGGJWXBMSKX-UHFFFAOYSA-N
XLogP1.97
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

n-Benzylpyrazin-2-amine
CID 269234
N-(4-methylbenzyl)-2-pyrazinamine
CID 3352268
N-phenethyl-2-pyrazinamine
CID 3265909
4-[(2-Pyrazinylamino)methyl]benzenecarbonitrile
CID 4359989
N-[(4-fluorophenyl)methyl]pyrazin-2-amine
CID 3542783
(S)-6-bromo-1-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-2-ol
CID 24815573
4-Benzyl-1-(6-Chloro-2-Pyrazinyl)-2-Ethylpiperazine
CID 18186916
n-(4-((4-(Pyrazin-2-yl)piperazin-1-yl)methyl)phenylmethyl)acetamide
CID 18423169
(R)-2-(3-Amino-6-bromopyrazin-2-ylamino)-2-phenylethanol
CID 86626383
1-Methyl-4-(2-pyrrolidinylmethyl)-piperazine
CID 17999105
1-[1-(3,4-Difluorophenyl)ethyl]-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 45829597
N-[2-(pyrazin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 53499957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine (CID 16740447) is 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine is Nc1ncc(Br)nc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
The InChIKey is IQNZGGJWXBMSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c15-12-8-18-13(16)14(19-12)20-7-6-17-11(9-20)10-4-2-1-3-5-10/h1-5,8,11,17H,6-7,9H2,(H2,16,18).
What are the key properties of 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine?
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine has a molecular weight of 334.22 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine is sourced from PubChem (CID 16740447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).