4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H12ClIN4O — CID 63550284

IUPAC4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(Nc2ccccc2I)n1
InChIInChI=1S/C12H12ClIN4O/c1-7(2)19-12-17-10(13)16-11(18-12)15-9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyYFFGCGSSYIASFB-UHFFFAOYSA-N
MW390.61 g/mol
LogP3.66
Rot. Bonds4

About 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 63550284) has the molecular formula C12H12ClIN4O and a molecular weight of 390.61 g/mol. Its IUPAC name is 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID63550284
Molecular FormulaC12H12ClIN4O
Molecular Weight390.61 g/mol
Exact Mass389.97
IUPAC Name4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(Nc2ccccc2I)n1
InChIInChI=1S/C12H12ClIN4O/c1-7(2)19-12-17-10(13)16-11(18-12)15-9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyYFFGCGSSYIASFB-UHFFFAOYSA-N
XLogP3.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-iodophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80763052
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547837
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864367
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82802523
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 63550284) is 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(Nc2ccccc2I)n1.
What is the InChIKey of 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is YFFGCGSSYIASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN4O/c1-7(2)19-12-17-10(13)16-11(18-12)15-9-6-4-3-5-8(9)14/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 390.61 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63550284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).