N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine

C9H11BrClN3 — CID 106195568

IUPACN-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine
SMILESC=C(Br)CNc1nc(C)c(C)nc1Cl
InChIInChI=1S/C9H11BrClN3/c1-5(10)4-12-9-8(11)13-6(2)7(3)14-9/h1,4H2,2-3H3,(H,12,14)
InChIKeySCWOATPFSCCFEO-UHFFFAOYSA-N
MW276.57 g/mol
LogP3.07
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine

N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine (PubChem CID 106195568) has the molecular formula C9H11BrClN3 and a molecular weight of 276.57 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine
PubChem CID106195568
Molecular FormulaC9H11BrClN3
Molecular Weight276.57 g/mol
Exact Mass274.98
IUPAC NameN-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine
SMILESC=C(Br)CNc1nc(C)c(C)nc1Cl
InChIInChI=1S/C9H11BrClN3/c1-5(10)4-12-9-8(11)13-6(2)7(3)14-9/h1,4H2,2-3H3,(H,12,14)
InChIKeySCWOATPFSCCFEO-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromoprop-2-enyl)-3-chloro-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-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine (CID 106195568) is N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine is C=C(Br)CNc1nc(C)c(C)nc1Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine?
The InChIKey is SCWOATPFSCCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3/c1-5(10)4-12-9-8(11)13-6(2)7(3)14-9/h1,4H2,2-3H3,(H,12,14).
What are the key properties of N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine?
N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine has a molecular weight of 276.57 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 106195568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).