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

C21H23ClN6O2 — CID 16830360

IUPAC2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23ClN6O2/c1-2-30-18-8-6-16(7-9-18)23-19-25-20(24-17-5-3-4-15(22)14-17)27-21(26-19)28-10-12-29-13-11-28/h3-9,14H,2,10-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyPMMRZAUOHWOCLY-UHFFFAOYSA-N
MW426.91 g/mol
LogP4.25
Rot. Bonds7

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

2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 16830360) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID16830360
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC Name2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23ClN6O2/c1-2-30-18-8-6-16(7-9-18)23-19-25-20(24-17-5-3-4-15(22)14-17)27-21(26-19)28-10-12-29-13-11-28/h3-9,14H,2,10-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyPMMRZAUOHWOCLY-UHFFFAOYSA-N
XLogP4.25
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[4-(5-Chloro-2-methoxy-phenylamino)-6-pyrrolidin-1-yl-[1,3,5]triazin-2-ylamino]-ethanol
CID 650378
6-chloro-N,N'-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-[[4-(5-Chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648036
4-chloro-N-(4-fluorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 1202188
2-N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 2730286
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 16721099
4,6-dimorpholino-N-(4-(trifluoromethoxy)phenyl)-1,3,5-triazin-2-amine hydrochloride
CID 16800054
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-(4-methoxy-phenyl)-amine
CID 1158979
4-ethoxy-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1158975
N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 975799
2-N-butyl-4-N-(5-chloro-2-methoxyphenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 23648009
2-[[4-(5-Chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648012

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 16830360) is 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCOc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PMMRZAUOHWOCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-2-30-18-8-6-16(7-9-18)23-19-25-20(24-17-5-3-4-15(22)14-17)27-21(26-19)28-10-12-29-13-11-28/h3-9,14H,2,10-13H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 426.91 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 16830360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).