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

C17H19ClFN5 — CID 17060769

IUPAC1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2ccccc2F)c1.Cl
InChIInChI=1S/C17H18FN5.ClH/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);1H
InChIKeyMFPRSLDAMYCODB-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.01
Rot. Bonds2

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

1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 17060769) has the molecular formula C17H19ClFN5 and a molecular weight of 347.83 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID17060769
Molecular FormulaC17H19ClFN5
Molecular Weight347.83 g/mol
Exact Mass347.13
IUPAC Name1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCc1cc(C)cc(N2C(N)=NC(N)=NC2c2ccccc2F)c1.Cl
InChIInChI=1S/C17H18FN5.ClH/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);1H
InChIKeyMFPRSLDAMYCODB-UHFFFAOYSA-N
XLogP3.01
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.01
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;hydrochloride?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 17060769) is 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is Cc1cc(C)cc(N2C(N)=NC(N)=NC2c2ccccc2F)c1.Cl.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is MFPRSLDAMYCODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5.ClH/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);1H.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 347.83 g/mol, XLogP of 3.01, 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;hydrochloride is sourced from PubChem (CID 17060769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).