2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine

C18H24IN5O — CID 5044162

IUPAC2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(I)cc2C)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H24IN5O/c1-3-25-18-23-16(20-14-7-5-4-6-8-14)22-17(24-18)21-15-10-9-13(19)11-12(15)2/h9-11,14H,3-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyVOAPDWDNKDBUSS-UHFFFAOYSA-N
MW453.33 g/mol
LogP4.67
Rot. Bonds6

About 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 5044162) has the molecular formula C18H24IN5O and a molecular weight of 453.33 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID5044162
Molecular FormulaC18H24IN5O
Molecular Weight453.33 g/mol
Exact Mass453.10
IUPAC Name2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(Nc2ccc(I)cc2C)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H24IN5O/c1-3-25-18-23-16(20-14-7-5-4-6-8-14)22-17(24-18)21-15-10-9-13(19)11-12(15)2/h9-11,14H,3-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyVOAPDWDNKDBUSS-UHFFFAOYSA-N
XLogP4.67
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.33
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
6-chloro-N-cyclohexyl-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 704774
2-({4-[(2-Methylphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648017
4,6-dimorpholino-N-(o-tolyl)-1,3,5-triazin-2-amine hydrochloride
CID 18580239
N2-(1-benzyl-4-piperidyl)-6-methoxy-N4-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 57394867
6-Chloro-N-isopropyl-N'-m-tolyl-[1,3,5]triazine-2,4-diamine
CID 768158
(4-Dimethylamino-6-m-tolylamino-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 1895646
(4-Methoxy-6-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 653671
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(2-methylphenylamino)-
CID 550395
N,N'-bis(3-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1327302
6-ethoxy-2-N-(2-fluorophenyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3146879

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 5044162) is 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(Nc2ccc(I)cc2C)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VOAPDWDNKDBUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN5O/c1-3-25-18-23-16(20-14-7-5-4-6-8-14)22-17(24-18)21-15-10-9-13(19)11-12(15)2/h9-11,14H,3-8H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 453.33 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-ethoxy-4-N-(4-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5044162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).