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

C21H27ClN6O — CID 171851474

IUPAC2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1cccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C)c2)c1.Cl
InChIInChI=1S/C21H26N6O.ClH/c1-15-5-3-7-17(13-15)23-20-24-19(22)25-21(26-9-11-28-12-10-26)27(20)18-8-4-6-16(2)14-18;/h3-8,13-14,20,23H,9-12H2,1-2H3,(H2,22,24);1H
InChIKeyVPDQGURQKOIFDG-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.94
Rot. Bonds3

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

2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 171851474) has the molecular formula C21H27ClN6O and a molecular weight of 414.94 g/mol. Its IUPAC name is 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID171851474
Molecular FormulaC21H27ClN6O
Molecular Weight414.94 g/mol
Exact Mass414.19
IUPAC Name2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCc1cccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C)c2)c1.Cl
InChIInChI=1S/C21H26N6O.ClH/c1-15-5-3-7-17(13-15)23-20-24-19(22)25-21(26-9-11-28-12-10-26)27(20)18-8-4-6-16(2)14-18;/h3-8,13-14,20,23H,9-12H2,1-2H3,(H2,22,24);1H
InChIKeyVPDQGURQKOIFDG-UHFFFAOYSA-N
XLogP2.94
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,1-bis(3-methylphenyl)-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

Related Compounds

2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851492
2-N-(3,4-dimethylphenyl)-1-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851420
2-N-(4-fluorophenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851280
2-N-(3-fluorophenyl)-1-(4-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851288
2-N-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851498
2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851457
2-N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851446
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851201
2-N-(3-chlorophenyl)-1-(4-ethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851200
2-N-(4-ethoxyphenyl)-1-(3-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851212
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851202
2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851412

Frequently Asked Questions

What is the IUPAC name of 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (CID 171851474) is 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is Cc1cccc(NC2N=C(N)N=C(N3CCOCC3)N2c2cccc(C)c2)c1.Cl.
What is the InChIKey of 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is VPDQGURQKOIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.ClH/c1-15-5-3-7-17(13-15)23-20-24-19(22)25-21(26-9-11-28-12-10-26)27(20)18-8-4-6-16(2)14-18;/h3-8,13-14,20,23H,9-12H2,1-2H3,(H2,22,24);1H.
What are the key properties of 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171851474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).