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

C17H19Cl2N5O2 — CID 44521968

IUPAC1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccc(Cl)cc2)cc1OC.Cl
InChIInChI=1S/C17H18ClN5O2.ClH/c1-24-13-8-3-10(9-14(13)25-2)15-21-16(19)22-17(20)23(15)12-6-4-11(18)5-7-12;/h3-9,15H,1-2H3,(H4,19,20,21,22);1H
InChIKeyAERLJGUORYWVCD-UHFFFAOYSA-N
MW396.28 g/mol
LogP2.93
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (PubChem CID 44521968) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
PubChem CID44521968
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Name1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
SMILESCOc1ccc(C2N=C(N)N=C(N)N2c2ccc(Cl)cc2)cc1OC.Cl
InChIInChI=1S/C17H18ClN5O2.ClH/c1-24-13-8-3-10(9-14(13)25-2)15-21-16(19)22-17(20)23(15)12-6-4-11(18)5-7-12;/h3-9,15H,1-2H3,(H4,19,20,21,22);1H
InChIKeyAERLJGUORYWVCD-UHFFFAOYSA-N
XLogP2.93
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride (CID 44521968) is 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is COc1ccc(C2N=C(N)N=C(N)N2c2ccc(Cl)cc2)cc1OC.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
The InChIKey is AERLJGUORYWVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2.ClH/c1-24-13-8-3-10(9-14(13)25-2)15-21-16(19)22-17(20)23(15)12-6-4-11(18)5-7-12;/h3-9,15H,1-2H3,(H4,19,20,21,22);1H.
What are the key properties of 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride?
1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride has a molecular weight of 396.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride is sourced from PubChem (CID 44521968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).