2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride

C22H29ClN6O2 — CID 171851207

IUPAC2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2ccc(C)c(C)c2)cc1.Cl
InChIInChI=1S/C22H28N6O2.ClH/c1-15-4-5-17(14-16(15)2)24-21-25-20(23)26-22(27-10-12-30-13-11-27)28(21)18-6-8-19(29-3)9-7-18;/h4-9,14,21,24H,10-13H2,1-3H3,(H2,23,25);1H
InChIKeyQCXJSCVBLDRVLO-UHFFFAOYSA-N
MW444.97 g/mol
LogP2.95
Rot. Bonds4

About 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride

2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 171851207) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID171851207
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC Name2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2ccc(C)c(C)c2)cc1.Cl
InChIInChI=1S/C22H28N6O2.ClH/c1-15-4-5-17(14-16(15)2)24-21-25-20(23)26-22(27-10-12-30-13-11-27)28(21)18-6-8-19(29-3)9-7-18;/h4-9,14,21,24H,10-13H2,1-3H3,(H2,23,25);1H
InChIKeyQCXJSCVBLDRVLO-UHFFFAOYSA-N
XLogP2.95
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (CID 171851207) is 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is COc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2ccc(C)c(C)c2)cc1.Cl.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is QCXJSCVBLDRVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2.ClH/c1-15-4-5-17(14-16(15)2)24-21-25-20(23)26-22(27-10-12-30-13-11-27)28(21)18-6-8-19(29-3)9-7-18;/h4-9,14,21,24H,10-13H2,1-3H3,(H2,23,25);1H.
What are the key properties of 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 444.97 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171851207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).