5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine

C17H17N5O — CID 86057268

IUPAC5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine
SMILESCOc1ccc(Nc2nc(-c3cccc(N)c3)cnc2N)cc1
InChIInChI=1S/C17H17N5O/c1-23-14-7-5-13(6-8-14)21-17-16(19)20-10-15(22-17)11-3-2-4-12(18)9-11/h2-10H,18H2,1H3,(H2,19,20)(H,21,22)
InChIKeyJXBMTENFBPZFKS-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.06
Rot. Bonds4

About 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine

5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine (PubChem CID 86057268) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine
PubChem CID86057268
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine
SMILESCOc1ccc(Nc2nc(-c3cccc(N)c3)cnc2N)cc1
InChIInChI=1S/C17H17N5O/c1-23-14-7-5-13(6-8-14)21-17-16(19)20-10-15(22-17)11-3-2-4-12(18)9-11/h2-10H,18H2,1H3,(H2,19,20)(H,21,22)
InChIKeyJXBMTENFBPZFKS-UHFFFAOYSA-N
XLogP3.06
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine 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 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine?
The IUPAC name of 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine (CID 86057268) is 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine is COc1ccc(Nc2nc(-c3cccc(N)c3)cnc2N)cc1.
What is the InChIKey of 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine?
The InChIKey is JXBMTENFBPZFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-23-14-7-5-13(6-8-14)21-17-16(19)20-10-15(22-17)11-3-2-4-12(18)9-11/h2-10H,18H2,1H3,(H2,19,20)(H,21,22).
What are the key properties of 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine?
5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine has a molecular weight of 307.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-3-N-(4-methoxyphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 86057268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).