4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine

C12H21N5O — CID 22166508

IUPAC4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-2-3-4-5-10-14-11(13)16-12(15-10)17-6-8-18-9-7-17/h2-9H2,1H3,(H2,13,14,15,16)
InChIKeyWNUUJIVPRMGOFP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds5

About 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine

4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine (PubChem CID 22166508) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine
PubChem CID22166508
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5O/c1-2-3-4-5-10-14-11(13)16-12(15-10)17-6-8-18-9-7-17/h2-9H2,1H3,(H2,13,14,15,16)
InChIKeyWNUUJIVPRMGOFP-UHFFFAOYSA-N
XLogP1.02
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine (CID 22166508) is 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine is CCCCCc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine?
The InChIKey is WNUUJIVPRMGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-3-4-5-10-14-11(13)16-12(15-10)17-6-8-18-9-7-17/h2-9H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine?
4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22166508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).