N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H17IN4O2 — CID 80874891

IUPACN-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(Oc2ccccc2I)nc(OC(C)C)n1
InChIInChI=1S/C14H17IN4O2/c1-4-16-12-17-13(20-9(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyCKKLKCFWKRTYDY-UHFFFAOYSA-N
MW400.22 g/mol
LogP3.49
Rot. Bonds6

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

N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80874891) has the molecular formula C14H17IN4O2 and a molecular weight of 400.22 g/mol. Its IUPAC name is N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80874891
Molecular FormulaC14H17IN4O2
Molecular Weight400.22 g/mol
Exact Mass400.04
IUPAC NameN-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(Oc2ccccc2I)nc(OC(C)C)n1
InChIInChI=1S/C14H17IN4O2/c1-4-16-12-17-13(20-9(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,17,18,19)
InChIKeyCKKLKCFWKRTYDY-UHFFFAOYSA-N
XLogP3.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-benzylsulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871999
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566398
N-ethyl-4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 116806108
4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80737117
3-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198621
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
2-N-(2,3-dimethylbutyl)-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80844599
ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate
CID 657589
4-N-ethyl-2-N-[1-(furan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80775608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80874891) is N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CCNc1nc(Oc2ccccc2I)nc(OC(C)C)n1.
What is the InChIKey of N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is CKKLKCFWKRTYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN4O2/c1-4-16-12-17-13(20-9(2)3)19-14(18-12)21-11-8-6-5-7-10(11)15/h5-9H,4H2,1-3H3,(H,16,17,18,19).
What are the key properties of N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 400.22 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80874891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).