6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine

C13H15IN4 — CID 114258187

IUPAC6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(C)c(I)c2)n1
InChIInChI=1S/C13H15IN4/c1-3-16-12-7-15-8-13(18-12)17-10-5-4-9(2)11(14)6-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyHCADOEODDSNAOM-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.57
Rot. Bonds4

About 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine

6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine (PubChem CID 114258187) has the molecular formula C13H15IN4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
PubChem CID114258187
Molecular FormulaC13H15IN4
Molecular Weight354.20 g/mol
Exact Mass354.03
IUPAC Name6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(Nc2ccc(C)c(I)c2)n1
InChIInChI=1S/C13H15IN4/c1-3-16-12-7-15-8-13(18-12)17-10-5-4-9(2)11(14)6-10/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyHCADOEODDSNAOM-UHFFFAOYSA-N
XLogP3.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-2-N-(4-methylphenyl)pyrazine-2,6-diamine
CID 80761835
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-N-ethyl-2-N-(3-fluoro-5-methylphenyl)pyrazine-2,6-diamine
CID 80851533
2-N-(1,3-benzothiazol-6-yl)-6-N-ethylpyrazine-2,6-diamine
CID 107802020
6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
CID 80768969
2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 104728613
2-N-(2,5-difluoro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 103587838
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine (CID 114258187) is 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine is CCNc1cncc(Nc2ccc(C)c(I)c2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine?
The InChIKey is HCADOEODDSNAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4/c1-3-16-12-7-15-8-13(18-12)17-10-5-4-9(2)11(14)6-10/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine has a molecular weight of 354.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(3-iodo-4-methylphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 114258187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).