2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol

C19H29N7O2 — CID 117093688

IUPAC2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCN(CC)c1nc(NCCO)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C19H29N7O2/c1-3-25(4-2)19-23-17(20-9-12-27)22-18(24-19)21-15-5-7-16(8-6-15)26-10-13-28-14-11-26/h5-8,27H,3-4,9-14H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyWXTRYWYNCSRYAK-UHFFFAOYSA-N
MW387.49 g/mol
LogP1.70
Rot. Bonds9

About 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 117093688) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID117093688
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCN(CC)c1nc(NCCO)nc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C19H29N7O2/c1-3-25(4-2)19-23-17(20-9-12-27)22-18(24-19)21-15-5-7-16(8-6-15)26-10-13-28-14-11-26/h5-8,27H,3-4,9-14H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyWXTRYWYNCSRYAK-UHFFFAOYSA-N
XLogP1.70
TPSA98.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-diethyl-6-N-(4-imidazol-1-ylphenyl)-4-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 117088512
2-N,2-N-diethyl-6-N-(4-morpholin-4-ylphenyl)-4-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 117086792
2-[[4-morpholin-4-yl-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 5112726
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
4-N-[2-(dimethylamino)ethyl]-6-morpholin-4-yl-2-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 171061531
2-N,2-N-diethyl-6-N-(2-phenoxyethyl)-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 117087560
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 117093416
4-[[4-[2-(ethylsulfonylamino)ethyl-methylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;hydrate
CID 91135901
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
N-butyl-4-morpholin-4-ylaniline
CID 28675754

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 117093688) is 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol is CCN(CC)c1nc(NCCO)nc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is WXTRYWYNCSRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-3-25(4-2)19-23-17(20-9-12-27)22-18(24-19)21-15-5-7-16(8-6-15)26-10-13-28-14-11-26/h5-8,27H,3-4,9-14H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 387.49 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-(4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 117093688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).