1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine

C17H18FN5 — CID 17060765

IUPAC1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2ccccc2F)c1
InChIInChI=1S/C17H18FN5/c1-10-7-11(2)9-12(8-10)23-15(21-16(19)22-17(23)20)13-5-3-4-6-14(13)18/h3-9,15H,1-2H3,(H4,19,20,21,22)
InChIKeyHVMDMOSGUIRAPN-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.59
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine

1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine (PubChem CID 17060765) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine
PubChem CID17060765
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2ccccc2F)c1
InChIInChI=1S/C17H18FN5/c1-10-7-11(2)9-12(8-10)23-15(21-16(19)22-17(23)20)13-5-3-4-6-14(13)18/h3-9,15H,1-2H3,(H4,19,20,21,22)
InChIKeyHVMDMOSGUIRAPN-UHFFFAOYSA-N
XLogP2.59
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine (CID 17060765) is 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine is Cc1cc(C)cc(N2C(N)=NC(N)=NC2c2ccccc2F)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine?
The InChIKey is HVMDMOSGUIRAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-10-7-11(2)9-12(8-10)23-15(21-16(19)22-17(23)20)13-5-3-4-6-14(13)18/h3-9,15H,1-2H3,(H4,19,20,21,22).
What are the key properties of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine?
1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 311.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 17060765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).