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

C12H12ClIN4O — CID 55221743

IUPAC4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C12H12ClIN4O/c1-2-7-19-12-17-10(13)16-11(18-12)15-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyACAJWDDNPAQDEY-UHFFFAOYSA-N
MW390.61 g/mol
LogP3.66
Rot. Bonds5

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

4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55221743) has the molecular formula C12H12ClIN4O and a molecular weight of 390.61 g/mol. Its IUPAC name is 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55221743
Molecular FormulaC12H12ClIN4O
Molecular Weight390.61 g/mol
Exact Mass389.97
IUPAC Name4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C12H12ClIN4O/c1-2-7-19-12-17-10(13)16-11(18-12)15-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyACAJWDDNPAQDEY-UHFFFAOYSA-N
XLogP3.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
6-chloro-4-N-hexyl-2-N-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 5124094
N-(2-bromo-3-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 103481042
N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63549239
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 55221743) is 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2ccc(I)cc2)n1.
What is the InChIKey of 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ACAJWDDNPAQDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN4O/c1-2-7-19-12-17-10(13)16-11(18-12)15-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 390.61 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55221743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).