6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine

C13H14ClN3 — CID 47151369

IUPAC6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
SMILESCc1ccccc1CCNc1cncc(Cl)n1
InChIInChI=1S/C13H14ClN3/c1-10-4-2-3-5-11(10)6-7-16-13-9-15-8-12(14)17-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyNPFWIXAHLZYTTM-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.09
Rot. Bonds4

About 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine

6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine (PubChem CID 47151369) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
PubChem CID47151369
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
SMILESCc1ccccc1CCNc1cncc(Cl)n1
InChIInChI=1S/C13H14ClN3/c1-10-4-2-3-5-11(10)6-7-16-13-9-15-8-12(14)17-13/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyNPFWIXAHLZYTTM-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[2-(2-methylphenyl)ethylamino]pyrazine-2-carboxylate
CID 79749113
6-chloro-N-(2-quinolin-8-ylethyl)pyrazin-2-amine
CID 47151476
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
6-chloro-N-propylpyrazin-2-amine
CID 26370207
5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 106549855
6-methoxy-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 79756545
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 60524007

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine (CID 47151369) is 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine is Cc1ccccc1CCNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine?
The InChIKey is NPFWIXAHLZYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10-4-2-3-5-11(10)6-7-16-13-9-15-8-12(14)17-13/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine?
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 47151369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).