2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride

C17H20ClN5O2 — CID 6602877

IUPAC2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccccc2)cc1OC.Cl
InChIInChI=1S/C17H19N5O2.ClH/c1-23-13-9-8-11(10-14(13)24-2)15-20-16(18)21-17(19)22(15)12-6-4-3-5-7-12;/h3-10,15H,1-2H3,(H4,18,19,20,21);1H
InChIKeyFQARSVGAVMGRQP-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.27
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 6602877) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID6602877
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccccc2)cc1OC.Cl
InChIInChI=1S/C17H19N5O2.ClH/c1-23-13-9-8-11(10-14(13)24-2)15-20-16(18)21-17(19)22(15)12-6-4-3-5-7-12;/h3-10,15H,1-2H3,(H4,18,19,20,21);1H
InChIKeyFQARSVGAVMGRQP-UHFFFAOYSA-N
XLogP2.27
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 6602877) is 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is COc1ccc(C2N=C(N)N=C(N)N2c2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is FQARSVGAVMGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.ClH/c1-23-13-9-8-11(10-14(13)24-2)15-20-16(18)21-17(19)22(15)12-6-4-3-5-7-12;/h3-10,15H,1-2H3,(H4,18,19,20,21);1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-phenyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 6602877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).