2-N-(4-iodophenyl)pyrazine-2,6-diamine

C10H9IN4 — CID 80647336

IUPAC2-N-(4-iodophenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C10H9IN4/c11-7-1-3-8(4-2-7)14-10-6-13-5-9(12)15-10/h1-6H,(H3,12,14,15)
InChIKeyMDEWOZWNZVULOO-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.41
Rot. Bonds2

About 2-N-(4-iodophenyl)pyrazine-2,6-diamine

2-N-(4-iodophenyl)pyrazine-2,6-diamine (PubChem CID 80647336) has the molecular formula C10H9IN4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-N-(4-iodophenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-iodophenyl)pyrazine-2,6-diamine
PubChem CID80647336
Molecular FormulaC10H9IN4
Molecular Weight312.11 g/mol
Exact Mass311.99
IUPAC Name2-N-(4-iodophenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C10H9IN4/c11-7-1-3-8(4-2-7)14-10-6-13-5-9(12)15-10/h1-6H,(H3,12,14,15)
InChIKeyMDEWOZWNZVULOO-UHFFFAOYSA-N
XLogP2.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.41
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

N-2-Pyridylaniline
CID 81130
4-(1H-imidazol-1-yl)aniline
CID 320165
5-Nitro-N-phenylpyridin-2-amine
CID 81268
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
N-(2-pyridinyl)-N'-(3-pyridinyl)thiourea
CID 2766576
1-(3-Iodopyridin-2-yl)piperazine
CID 11500225
1',3'-Dihydrospiro(cyclohexane-1,2'-(2H)imidazo(4,5-b)pyridine)
CID 589729
2-N-phenylpyridine-2,3-diamine
CID 10679091
1-(3-Chlorophenyl)-3-pyrazin-2-ylurea
CID 3287669
1-Phenyl-3-pyrazin-2-ylurea
CID 5044232
1-(4-Bromophenyl)-3-pyrazin-2-ylurea
CID 17378581

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-iodophenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-iodophenyl)pyrazine-2,6-diamine (CID 80647336) is 2-N-(4-iodophenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-iodophenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-iodophenyl)pyrazine-2,6-diamine is Nc1cncc(Nc2ccc(I)cc2)n1.
What is the InChIKey of 2-N-(4-iodophenyl)pyrazine-2,6-diamine?
The InChIKey is MDEWOZWNZVULOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4/c11-7-1-3-8(4-2-7)14-10-6-13-5-9(12)15-10/h1-6H,(H3,12,14,15).
What are the key properties of 2-N-(4-iodophenyl)pyrazine-2,6-diamine?
2-N-(4-iodophenyl)pyrazine-2,6-diamine has a molecular weight of 312.11 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-iodophenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80647336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).