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

C13H16ClN5O3 — CID 3146884

IUPAC2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H16ClN5O3/c1-21-10-4-3-8(14)7-9(10)16-12-17-11(15-5-6-20)18-13(19-12)22-2/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyIWHNJFYYLFNRIG-UHFFFAOYSA-N
MW325.76 g/mol
LogP1.69
Rot. Bonds7

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

2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3146884) has the molecular formula C13H16ClN5O3 and a molecular weight of 325.76 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3146884
Molecular FormulaC13H16ClN5O3
Molecular Weight325.76 g/mol
Exact Mass325.09
IUPAC Name2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C13H16ClN5O3/c1-21-10-4-3-8(14)7-9(10)16-12-17-11(15-5-6-20)18-13(19-12)22-2/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyIWHNJFYYLFNRIG-UHFFFAOYSA-N
XLogP1.69
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol (CID 3146884) is 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol is COc1nc(NCCO)nc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is IWHNJFYYLFNRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O3/c1-21-10-4-3-8(14)7-9(10)16-12-17-11(15-5-6-20)18-13(19-12)22-2/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 325.76 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methoxyanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3146884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).