2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine

C11H11ClN4O — CID 80648357

IUPAC2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine
SMILESCOc1ccc(Cl)cc1Nc1cncc(N)n1
InChIInChI=1S/C11H11ClN4O/c1-17-9-3-2-7(12)4-8(9)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16)
InChIKeyIRHGATYSUQWZKD-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.46
Rot. Bonds3

About 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine

2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine (PubChem CID 80648357) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine
PubChem CID80648357
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine
SMILESCOc1ccc(Cl)cc1Nc1cncc(N)n1
InChIInChI=1S/C11H11ClN4O/c1-17-9-3-2-7(12)4-8(9)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16)
InChIKeyIRHGATYSUQWZKD-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
CID 80647697
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
2-[(6-aminopyrazin-2-yl)amino]-4-chlorobenzonitrile
CID 80647352
5-N-(5-chloro-2-methoxyphenyl)-3-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966324
2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 71786100
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966076
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-N-(5-chloro-2-methoxyphenyl)-3-N-cyclopropyl-1,2,4-triazine-3,5-diamine
CID 112939408
4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine (CID 80648357) is 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine is COc1ccc(Cl)cc1Nc1cncc(N)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine?
The InChIKey is IRHGATYSUQWZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-17-9-3-2-7(12)4-8(9)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine?
2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine has a molecular weight of 250.69 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80648357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).