2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C17H20ClN5O — CID 2851142

IUPAC2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-11-3-7-13(8-4-11)22-15(20-16(18)21-17(22)19)12-5-9-14(23-2)10-6-12;/h3-10,15H,1-2H3,(H4,18,19,20,21);1H
InChIKeyAOLBIEBGDTWLQZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.57
Rot. Bonds3

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

2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 2851142) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID2851142
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-11-3-7-13(8-4-11)22-15(20-16(18)21-17(22)19)12-5-9-14(23-2)10-6-12;/h3-10,15H,1-2H3,(H4,18,19,20,21);1H
InChIKeyAOLBIEBGDTWLQZ-UHFFFAOYSA-N
XLogP2.57
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 2851142) is 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is COc1ccc(C2N=C(N)N=C(N)N2c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is AOLBIEBGDTWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-11-3-7-13(8-4-11)22-15(20-16(18)21-17(22)19)12-5-9-14(23-2)10-6-12;/h3-10,15H,1-2H3,(H4,18,19,20,21);1H.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 2851142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).