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

C11H18ClN5O2 — CID 113492552

IUPAC1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
SMILESCCC(O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18ClN5O2/c1-2-8(18)7-13-10-14-9(12)15-11(16-10)17-3-5-19-6-4-17/h8,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyZMRIAZBGVKBTSJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.54
Rot. Bonds5

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

1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol (PubChem CID 113492552) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
PubChem CID113492552
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
SMILESCCC(O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H18ClN5O2/c1-2-8(18)7-13-10-14-9(12)15-11(16-10)17-3-5-19-6-4-17/h8,18H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyZMRIAZBGVKBTSJ-UHFFFAOYSA-N
XLogP0.54
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol?
The IUPAC name of 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol (CID 113492552) is 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol is CCC(O)CNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol?
The InChIKey is ZMRIAZBGVKBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-2-8(18)7-13-10-14-9(12)15-11(16-10)17-3-5-19-6-4-17/h8,18H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol?
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol has a molecular weight of 287.75 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 113492552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).