3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine

C15H16BrN3O — CID 142983953

IUPAC3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine
SMILESC/C=c1/cccc(COc2cnc(N)c(Br)n2)/c1=C/C
InChIInChI=1S/C15H16BrN3O/c1-3-10-6-5-7-11(12(10)4-2)9-20-13-8-18-15(17)14(16)19-13/h3-8H,9H2,1-2H3,(H2,17,18)/b10-3-,12-4+
InChIKeyVUDQNYNYRFADMV-OROJOBSHSA-N
MW334.22 g/mol
LogP2.00
Rot. Bonds3

About 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine

3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine (PubChem CID 142983953) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine
PubChem CID142983953
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine
SMILESC/C=c1/cccc(COc2cnc(N)c(Br)n2)/c1=C/C
InChIInChI=1S/C15H16BrN3O/c1-3-10-6-5-7-11(12(10)4-2)9-20-13-8-18-15(17)14(16)19-13/h3-8H,9H2,1-2H3,(H2,17,18)/b10-3-,12-4+
InChIKeyVUDQNYNYRFADMV-OROJOBSHSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromopyrazin-2-amine;ethane
CID 143486522
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
CID 82824209
4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
CID 82825383
5-bromo-2-[(2-bromophenyl)methoxy]pyridine
CID 82832179
6-[(2-fluorophenyl)methoxy]pyridine-2-carbothioamide
CID 64593561
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828442
5-bromo-3-[(3-fluoro-2-methoxyphenyl)methoxy]pyridin-2-amine
CID 21111328
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
6-[(2-bromophenyl)methoxy]pyridine-2-carbonitrile
CID 82825869
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine?
The IUPAC name of 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine (CID 142983953) is 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine.
What is the SMILES notation for 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine?
The canonical SMILES for 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine is C/C=c1/cccc(COc2cnc(N)c(Br)n2)/c1=C/C.
What is the InChIKey of 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine?
The InChIKey is VUDQNYNYRFADMV-OROJOBSHSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-3-10-6-5-7-11(12(10)4-2)9-20-13-8-18-15(17)14(16)19-13/h3-8H,9H2,1-2H3,(H2,17,18)/b10-3-,12-4+.
What are the key properties of 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine?
3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine has a molecular weight of 334.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]methoxy]pyrazin-2-amine is sourced from PubChem (CID 142983953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).