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

C13H23N5O2 — CID 3080120

IUPAC1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCCCc1nc(NCC(C)O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-9-10(2)19)17-13(16-11)18-5-7-20-8-6-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyMGKXYMOOOCUPGL-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.45
Rot. Bonds6

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

1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol (PubChem CID 3080120) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol
PubChem CID3080120
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCCCc1nc(NCC(C)O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-9-10(2)19)17-13(16-11)18-5-7-20-8-6-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17)
InChIKeyMGKXYMOOOCUPGL-UHFFFAOYSA-N
XLogP0.45
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol (CID 3080120) is 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol is CCCc1nc(NCC(C)O)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
The InChIKey is MGKXYMOOOCUPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-4-11-15-12(14-9-10(2)19)17-13(16-11)18-5-7-20-8-6-18/h10,19H,3-9H2,1-2H3,(H,14,15,16,17).
What are the key properties of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol?
1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol has a molecular weight of 281.36 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 3080120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).