2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine

C11H11ClN4 — CID 80648132

IUPAC2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
SMILESCc1cc(Cl)ccc1Nc1cncc(N)n1
InChIInChI=1S/C11H11ClN4/c1-7-4-8(12)2-3-9(7)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16)
InChIKeyFFAOFSSVPCJYNZ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.76
Rot. Bonds2

About 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine

2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine (PubChem CID 80648132) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
PubChem CID80648132
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
SMILESCc1cc(Cl)ccc1Nc1cncc(N)n1
InChIInChI=1S/C11H11ClN4/c1-7-4-8(12)2-3-9(7)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16)
InChIKeyFFAOFSSVPCJYNZ-UHFFFAOYSA-N
XLogP2.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine
CID 80648357
2-[(6-aminopyrazin-2-yl)amino]-4-chlorobenzonitrile
CID 80647352
N-(4-chloro-2-methylphenyl)pyrazin-2-amine
CID 118286926
2-N-(5-chloro-2-methylphenyl)-6-N-methylpyrazine-2,6-diamine
CID 80755142
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
5-N-(4-chloro-2-methylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963232
2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
CID 80647697
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977
2-N-(5-bromo-2-fluorophenyl)pyrazine-2,6-diamine
CID 80647110
5-(aminomethyl)-N-(4-chloro-2-methylphenyl)pyridin-2-amine
CID 82296151
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
N-(4-fluoro-2-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 80927661

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine (CID 80648132) is 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine is Cc1cc(Cl)ccc1Nc1cncc(N)n1.
What is the InChIKey of 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine?
The InChIKey is FFAOFSSVPCJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-7-4-8(12)2-3-9(7)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16).
What are the key properties of 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine?
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine has a molecular weight of 234.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80648132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).