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

C20H22ClFN6O2 — CID 18580341

IUPAC2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1.Cl
InChIInChI=1S/C20H21FN6O2.ClH/c1-28-17-7-3-6-16(13-17)23-19-24-18(22-15-5-2-4-14(21)12-15)25-20(26-19)27-8-10-29-11-9-27;/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,25,26);1H
InChIKeyGXMIIXFAIGVLCY-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.76
Rot. Bonds6

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

2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 18580341) has the molecular formula C20H22ClFN6O2 and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID18580341
Molecular FormulaC20H22ClFN6O2
Molecular Weight432.89 g/mol
Exact Mass432.15
IUPAC Name2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1.Cl
InChIInChI=1S/C20H21FN6O2.ClH/c1-28-17-7-3-6-16(13-17)23-19-24-18(22-15-5-2-4-14(21)12-15)25-20(26-19)27-8-10-29-11-9-27;/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,25,26);1H
InChIKeyGXMIIXFAIGVLCY-UHFFFAOYSA-N
XLogP3.76
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-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-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 18580341) is 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride is COc1cccc(Nc2nc(Nc3cccc(F)c3)nc(N3CCOCC3)n2)c1.Cl.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is GXMIIXFAIGVLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2.ClH/c1-28-17-7-3-6-16(13-17)23-19-24-18(22-15-5-2-4-14(21)12-15)25-20(26-19)27-8-10-29-11-9-27;/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,25,26);1H.
What are the key properties of 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 432.89 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 18580341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).