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

C14H25N5O2 — CID 3080119

IUPAC4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCCc1nc(NCCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-2-5-12-16-13(15-6-3-4-9-20)18-14(17-12)19-7-10-21-11-8-19/h20H,2-11H2,1H3,(H,15,16,17,18)
InChIKeyDJKOECUVPZVSPS-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.85
Rot. Bonds8

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

4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 3080119) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID3080119
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCCc1nc(NCCCCO)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-2-5-12-16-13(15-6-3-4-9-20)18-14(17-12)19-7-10-21-11-8-19/h20H,2-11H2,1H3,(H,15,16,17,18)
InChIKeyDJKOECUVPZVSPS-UHFFFAOYSA-N
XLogP0.85
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 3080119) is 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol is CCCc1nc(NCCCCO)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is DJKOECUVPZVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-2-5-12-16-13(15-6-3-4-9-20)18-14(17-12)19-7-10-21-11-8-19/h20H,2-11H2,1H3,(H,15,16,17,18).
What are the key properties of 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 3080119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).