6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine

C11H17F3N6O — CID 115523100

IUPAC6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17F3N6O/c12-11(13,14)2-1-3-16-9-17-8(15)18-10(19-9)20-4-6-21-7-5-20/h1-7H2,(H3,15,16,17,18,19)
InChIKeyJNOKPKMZGLJUCC-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.04
Rot. Bonds5

About 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 115523100) has the molecular formula C11H17F3N6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
PubChem CID115523100
Molecular FormulaC11H17F3N6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17F3N6O/c12-11(13,14)2-1-3-16-9-17-8(15)18-10(19-9)20-4-6-21-7-5-20/h1-7H2,(H3,15,16,17,18,19)
InChIKeyJNOKPKMZGLJUCC-UHFFFAOYSA-N
XLogP1.04
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.04
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 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine (CID 115523100) is 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCCC(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JNOKPKMZGLJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6O/c12-11(13,14)2-1-3-16-9-17-8(15)18-10(19-9)20-4-6-21-7-5-20/h1-7H2,(H3,15,16,17,18,19).
What are the key properties of 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 306.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115523100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).