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

C16H21ClN6O3 — CID 3146886

IUPAC2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21ClN6O3/c1-25-13-3-2-11(17)10-12(13)19-15-20-14(18-4-7-24)21-16(22-15)23-5-8-26-9-6-23/h2-3,10,24H,4-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyPUICQVMUQPJIFY-UHFFFAOYSA-N
MW380.84 g/mol
LogP1.52
Rot. Bonds7

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

2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3146886) has the molecular formula C16H21ClN6O3 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3146886
Molecular FormulaC16H21ClN6O3
Molecular Weight380.84 g/mol
Exact Mass380.14
IUPAC Name2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21ClN6O3/c1-25-13-3-2-11(17)10-12(13)19-15-20-14(18-4-7-24)21-16(22-15)23-5-8-26-9-6-23/h2-3,10,24H,4-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyPUICQVMUQPJIFY-UHFFFAOYSA-N
XLogP1.52
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol 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

CID 17757274
CID 17757274
CID 650378
CID 650378
CID 23648021
CID 23648021
CID 23648025
CID 23648025
CID 23648026
CID 23648026
CID 23648034
CID 23648034
CID 23648036
CID 23648036
CID 1158975
CID 1158975
CID 23648009
CID 23648009
CID 23648012
CID 23648012
CID 23648013
CID 23648013
CID 23648015
CID 23648015

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 3146886) is 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is PUICQVMUQPJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O3/c1-25-13-3-2-11(17)10-12(13)19-15-20-14(18-4-7-24)21-16(22-15)23-5-8-26-9-6-23/h2-3,10,24H,4-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 380.84 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3146886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).