2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine

C17H17ClFN5 — CID 6624554

IUPAC2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2cccc(Cl)c2)N(CCc2ccc(F)cc2)C(N)=N1
InChIInChI=1S/C17H17ClFN5/c18-13-3-1-2-12(10-13)15-22-16(20)23-17(21)24(15)9-8-11-4-6-14(19)7-5-11/h1-7,10,15H,8-9H2,(H4,20,21,22,23)
InChIKeyRPKVMNWWHQCISS-UHFFFAOYSA-N
MW345.81 g/mol
LogP2.67
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine

2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine (PubChem CID 6624554) has the molecular formula C17H17ClFN5 and a molecular weight of 345.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine
PubChem CID6624554
Molecular FormulaC17H17ClFN5
Molecular Weight345.81 g/mol
Exact Mass345.12
IUPAC Name2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine
SMILESNC1=NC(c2cccc(Cl)c2)N(CCc2ccc(F)cc2)C(N)=N1
InChIInChI=1S/C17H17ClFN5/c18-13-3-1-2-12(10-13)15-22-16(20)23-17(21)24(15)9-8-11-4-6-14(19)7-5-11/h1-7,10,15H,8-9H2,(H4,20,21,22,23)
InChIKeyRPKVMNWWHQCISS-UHFFFAOYSA-N
XLogP2.67
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine (CID 6624554) is 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine is NC1=NC(c2cccc(Cl)c2)N(CCc2ccc(F)cc2)C(N)=N1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is RPKVMNWWHQCISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5/c18-13-3-1-2-12(10-13)15-22-16(20)23-17(21)24(15)9-8-11-4-6-14(19)7-5-11/h1-7,10,15H,8-9H2,(H4,20,21,22,23).
What are the key properties of 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine?
2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 345.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 6624554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).