2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C13H16IN5O — CID 80763052

IUPAC2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2I)nc(OC(C)C)n1
InChIInChI=1S/C13H16IN5O/c1-8(2)20-13-18-11(15-3)17-12(19-13)16-10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H2,15,16,17,18,19)
InChIKeyJDUNIOZWZILETB-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.05
Rot. Bonds5

About 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80763052) has the molecular formula C13H16IN5O and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80763052
Molecular FormulaC13H16IN5O
Molecular Weight385.21 g/mol
Exact Mass385.04
IUPAC Name2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Nc2ccccc2I)nc(OC(C)C)n1
InChIInChI=1S/C13H16IN5O/c1-8(2)20-13-18-11(15-3)17-12(19-13)16-10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H2,15,16,17,18,19)
InChIKeyJDUNIOZWZILETB-UHFFFAOYSA-N
XLogP3.05
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
2-N-(4-fluorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80760502
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478
2-N-(2-fluoro-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80729258
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501
4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80762709
2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814615
2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80771725
N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80874891
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900644

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80763052) is 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CNc1nc(Nc2ccccc2I)nc(OC(C)C)n1.
What is the InChIKey of 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JDUNIOZWZILETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN5O/c1-8(2)20-13-18-11(15-3)17-12(19-13)16-10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 385.21 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80763052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).