N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine

C11H11BrClN3S — CID 107373412

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
SMILESCN(Cc1cc(Br)cs1)c1cnc(CCl)cn1
InChIInChI=1S/C11H11BrClN3S/c1-16(6-10-2-8(12)7-17-10)11-5-14-9(3-13)4-15-11/h2,4-5,7H,3,6H2,1H3
InChIKeyMHEVRBAAXMIDMN-UHFFFAOYSA-N
MW332.65 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine (PubChem CID 107373412) has the molecular formula C11H11BrClN3S and a molecular weight of 332.65 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
PubChem CID107373412
Molecular FormulaC11H11BrClN3S
Molecular Weight332.65 g/mol
Exact Mass330.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine
SMILESCN(Cc1cc(Br)cs1)c1cnc(CCl)cn1
InChIInChI=1S/C11H11BrClN3S/c1-16(6-10-2-8(12)7-17-10)11-5-14-9(3-13)4-15-11/h2,4-5,7H,3,6H2,1H3
InChIKeyMHEVRBAAXMIDMN-UHFFFAOYSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N-methylpyrazin-2-amine
CID 61362401
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
CID 113387842
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79915755
N-[(4-bromothiophen-2-yl)methyl]-3-(chloromethyl)-N-methylquinolin-2-amine
CID 63541779
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80805934
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80904570
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62766846
[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183767
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine (CID 107373412) is N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine is CN(Cc1cc(Br)cs1)c1cnc(CCl)cn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine?
The InChIKey is MHEVRBAAXMIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3S/c1-16(6-10-2-8(12)7-17-10)11-5-14-9(3-13)4-15-11/h2,4-5,7H,3,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-N-methylpyrazin-2-amine has a molecular weight of 332.65 g/mol, XLogP of 3.68, 4 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]-5-(chloromethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 107373412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).