2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride

C21H25ClN6O2 — CID 18580366

IUPAC2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C21H24N6O2.ClH/c1-2-29-18-10-8-17(9-11-18)23-20-24-19(22-16-6-4-3-5-7-16)25-21(26-20)27-12-14-28-15-13-27;/h3-11H,2,12-15H2,1H3,(H2,22,23,24,25,26);1H
InChIKeyNEIVIDKOANJYPK-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.02
Rot. Bonds7

About 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride

2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 18580366) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID18580366
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C21H24N6O2.ClH/c1-2-29-18-10-8-17(9-11-18)23-20-24-19(22-16-6-4-3-5-7-16)25-21(26-20)27-12-14-28-15-13-27;/h3-11H,2,12-15H2,1H3,(H2,22,23,24,25,26);1H
InChIKeyNEIVIDKOANJYPK-UHFFFAOYSA-N
XLogP4.02
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877079
1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 18580169
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739
2-N-[(3,4-diethoxyphenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3647634
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 18580366) is 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride is CCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.Cl.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is NEIVIDKOANJYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.ClH/c1-2-29-18-10-8-17(9-11-18)23-20-24-19(22-16-6-4-3-5-7-16)25-21(26-20)27-12-14-28-15-13-27;/h3-11H,2,12-15H2,1H3,(H2,22,23,24,25,26);1H.
What are the key properties of 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 18580366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).