4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

C12H13FIN5O — CID 80849919

IUPAC4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(F)cc2I)nc(OC)n1
InChIInChI=1S/C12H13FIN5O/c1-3-15-10-17-11(19-12(18-10)20-2)16-9-5-4-7(13)6-8(9)14/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyBUSHMBXMDSVDKA-UHFFFAOYSA-N
MW389.17 g/mol
LogP2.80
Rot. Bonds5

About 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80849919) has the molecular formula C12H13FIN5O and a molecular weight of 389.17 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80849919
Molecular FormulaC12H13FIN5O
Molecular Weight389.17 g/mol
Exact Mass389.01
IUPAC Name4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(F)cc2I)nc(OC)n1
InChIInChI=1S/C12H13FIN5O/c1-3-15-10-17-11(19-12(18-10)20-2)16-9-5-4-7(13)6-8(9)14/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyBUSHMBXMDSVDKA-UHFFFAOYSA-N
XLogP2.80
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.17
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-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

2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
4-N-ethyl-2-N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80773421
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781316
6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107531871
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80849919) is 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2ccc(F)cc2I)nc(OC)n1.
What is the InChIKey of 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BUSHMBXMDSVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FIN5O/c1-3-15-10-17-11(19-12(18-10)20-2)16-9-5-4-7(13)6-8(9)14/h4-6H,3H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 389.17 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).