N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine

C10H9BrClN3S — CID 61362401

IUPACN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine
SMILESCN(Cc1cc(Br)cs1)c1cncc(Cl)n1
InChIInChI=1S/C10H9BrClN3S/c1-15(5-8-2-7(11)6-16-8)10-4-13-3-9(12)14-10/h2-4,6H,5H2,1H3
InChIKeyUUIZNYSPMPTVBK-UHFFFAOYSA-N
MW318.63 g/mol
LogP3.59
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine (PubChem CID 61362401) has the molecular formula C10H9BrClN3S and a molecular weight of 318.63 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine
PubChem CID61362401
Molecular FormulaC10H9BrClN3S
Molecular Weight318.63 g/mol
Exact Mass316.94
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine
SMILESCN(Cc1cc(Br)cs1)c1cncc(Cl)n1
InChIInChI=1S/C10H9BrClN3S/c1-15(5-8-2-7(11)6-16-8)10-4-13-3-9(12)14-10/h2-4,6H,5H2,1H3
InChIKeyUUIZNYSPMPTVBK-UHFFFAOYSA-N
XLogP3.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine (CID 61362401) is N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine is CN(Cc1cc(Br)cs1)c1cncc(Cl)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine?
The InChIKey is UUIZNYSPMPTVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3S/c1-15(5-8-2-7(11)6-16-8)10-4-13-3-9(12)14-10/h2-4,6H,5H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine has a molecular weight of 318.63 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine is sourced from PubChem (CID 61362401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).