2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H15ClFN5O — CID 80781316

IUPAC2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(Cl)cc2F)nc(OC)n1
InChIInChI=1S/C13H15ClFN5O/c1-3-6-16-11-18-12(20-13(19-11)21-2)17-10-5-4-8(14)7-9(10)15/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyIJMRXVZEZJJRQU-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.24
Rot. Bonds6

About 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80781316) has the molecular formula C13H15ClFN5O and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80781316
Molecular FormulaC13H15ClFN5O
Molecular Weight311.75 g/mol
Exact Mass311.09
IUPAC Name2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(Cl)cc2F)nc(OC)n1
InChIInChI=1S/C13H15ClFN5O/c1-3-6-16-11-18-12(20-13(19-11)21-2)17-10-5-4-8(14)7-9(10)15/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyIJMRXVZEZJJRQU-UHFFFAOYSA-N
XLogP3.24
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2,4-dichlorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760181
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
2-N-(2-bromophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80761372
5-chloro-4-N-(4-chloro-2-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800384
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156
2-N-(2-bromo-6-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107604531
2-N-(5-chloro-2-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80780587
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81272305
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80781316) is 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2ccc(Cl)cc2F)nc(OC)n1.
What is the InChIKey of 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IJMRXVZEZJJRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5O/c1-3-6-16-11-18-12(20-13(19-11)21-2)17-10-5-4-8(14)7-9(10)15/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.75 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80781316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).