N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine

C11H12BrN3S — CID 114476013

IUPACN-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCc2sccc2Br)nc1C
InChIInChI=1S/C11H12BrN3S/c1-7-8(2)15-11(6-13-7)14-5-10-9(12)3-4-16-10/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyNFZPCXOUNCBIEM-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.53
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine

N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114476013) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114476013
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCc2sccc2Br)nc1C
InChIInChI=1S/C11H12BrN3S/c1-7-8(2)15-11(6-13-7)14-5-10-9(12)3-4-16-10/h3-4,6H,5H2,1-2H3,(H,14,15)
InChIKeyNFZPCXOUNCBIEM-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine (CID 114476013) is N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCc2sccc2Br)nc1C.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is NFZPCXOUNCBIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-8(2)15-11(6-13-7)14-5-10-9(12)3-4-16-10/h3-4,6H,5H2,1-2H3,(H,14,15).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114476013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).