6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine

C10H11IN6 — CID 80927048

IUPAC6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
SMILESNNc1cc(Nc2ccc(I)cc2)nc(N)n1
InChIInChI=1S/C10H11IN6/c11-6-1-3-7(4-2-6)14-8-5-9(17-13)16-10(12)15-8/h1-5H,13H2,(H4,12,14,15,16,17)
InChIKeyBSHHNHPMAQMGFQ-UHFFFAOYSA-N
MW342.14 g/mol
LogP1.69
Rot. Bonds3

About 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine (PubChem CID 80927048) has the molecular formula C10H11IN6 and a molecular weight of 342.14 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
PubChem CID80927048
Molecular FormulaC10H11IN6
Molecular Weight342.14 g/mol
Exact Mass342.01
IUPAC Name6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
SMILESNNc1cc(Nc2ccc(I)cc2)nc(N)n1
InChIInChI=1S/C10H11IN6/c11-6-1-3-7(4-2-6)14-8-5-9(17-13)16-10(12)15-8/h1-5H,13H2,(H4,12,14,15,16,17)
InChIKeyBSHHNHPMAQMGFQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 80908581
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567408
4-N-(2,4-dichlorophenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80921104
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
2-N-(4-iodophenyl)pyrazine-2,6-diamine
CID 80647336
6-hydrazinyl-N-(3-iodophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775922

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine (CID 80927048) is 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine is NNc1cc(Nc2ccc(I)cc2)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine?
The InChIKey is BSHHNHPMAQMGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN6/c11-6-1-3-7(4-2-6)14-8-5-9(17-13)16-10(12)15-8/h1-5H,13H2,(H4,12,14,15,16,17).
What are the key properties of 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine has a molecular weight of 342.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80927048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).