3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine

C11H16ClN3 — CID 106197221

IUPAC3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine
SMILESCC(C)=CCNc1nc(C)c(C)nc1Cl
InChIInChI=1S/C11H16ClN3/c1-7(2)5-6-13-11-10(12)14-8(3)9(4)15-11/h5H,6H2,1-4H3,(H,13,15)
InChIKeyOCDFRCLPVAWJQM-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds3

About 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine

3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine (PubChem CID 106197221) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine
PubChem CID106197221
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine
SMILESCC(C)=CCNc1nc(C)c(C)nc1Cl
InChIInChI=1S/C11H16ClN3/c1-7(2)5-6-13-11-10(12)14-8(3)9(4)15-11/h5H,6H2,1-4H3,(H,13,15)
InChIKeyOCDFRCLPVAWJQM-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)-3-chloro-5,6-dimethylpyrazin-2-amine
CID 106195568
6-chloro-5-methyl-N-(3-methylbut-2-enyl)-2-propylpyrimidin-4-amine
CID 106197257
5-bromo-2,6-dimethyl-N-(3-methylbut-2-enyl)pyrimidin-4-amine
CID 130663098
2-chloro-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182395
N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide
CID 113293280
6-chloro-2-(3-methylbut-2-enylamino)pyridine-3-carboxylic acid
CID 106189848
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
3-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 106196800
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106197254
2-(3-chloro-5,6-dimethylpyrazin-2-yl)-1,1-dimethylhydrazine
CID 83020276
3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107420127
2-chloro-6-(3-methylbut-2-enylamino)pyridine-4-carbonitrile
CID 106197214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine (CID 106197221) is 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine is CC(C)=CCNc1nc(C)c(C)nc1Cl.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine?
The InChIKey is OCDFRCLPVAWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-7(2)5-6-13-11-10(12)14-8(3)9(4)15-11/h5H,6H2,1-4H3,(H,13,15).
What are the key properties of 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-(3-methylbut-2-enyl)pyrazin-2-amine is sourced from PubChem (CID 106197221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).