2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine

C10H10IN5 — CID 2730318

IUPAC2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(I)cc1Nc1ncnc(N)n1
InChIInChI=1S/C10H10IN5/c1-6-2-3-7(11)4-8(6)15-10-14-5-13-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyIJGPKTKFSYYAHA-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.11
Rot. Bonds2

About 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2730318) has the molecular formula C10H10IN5 and a molecular weight of 327.13 g/mol. Its IUPAC name is 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2730318
Molecular FormulaC10H10IN5
Molecular Weight327.13 g/mol
Exact Mass327.00
IUPAC Name2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(I)cc1Nc1ncnc(N)n1
InChIInChI=1S/C10H10IN5/c1-6-2-3-7(11)4-8(6)15-10-14-5-13-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyIJGPKTKFSYYAHA-UHFFFAOYSA-N
XLogP2.11
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-iodo-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114258171
2-N-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 83619125
2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2782901
2-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 83619053
3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
CID 114258206
2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
CID 114257930
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
N-(5-fluoro-2-methylphenyl)-5-iodopyrimidin-2-amine
CID 116648850
6-chloro-2-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762277
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428
6-[(4-amino-1,3,5-triazin-2-yl)amino]-3,3,8-trimethyl-2H-imidazo[1,5-a]pyridine-1,5-dione;molecular hydrogen
CID 158478502
3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
CID 4125292

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2730318) is 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccc(I)cc1Nc1ncnc(N)n1.
What is the InChIKey of 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IJGPKTKFSYYAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN5/c1-6-2-3-7(11)4-8(6)15-10-14-5-13-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 327.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2730318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).