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

C11H17F3N6O — CID 80830319

IUPAC4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCN(CCC(F)(F)F)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17F3N6O/c1-19(3-2-11(12,13)14)9-16-8(15)17-10(18-9)20-4-6-21-7-5-20/h2-7H2,1H3,(H2,15,16,17,18)
InChIKeyLTEDUGJSBGVIIJ-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.68
Rot. Bonds4

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

4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80830319) has the molecular formula C11H17F3N6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID80830319
Molecular FormulaC11H17F3N6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCN(CCC(F)(F)F)c1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C11H17F3N6O/c1-19(3-2-11(12,13)14)9-16-8(15)17-10(18-9)20-4-6-21-7-5-20/h2-7H2,1H3,(H2,15,16,17,18)
InChIKeyLTEDUGJSBGVIIJ-UHFFFAOYSA-N
XLogP0.68
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine (CID 80830319) is 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine is CN(CCC(F)(F)F)c1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LTEDUGJSBGVIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6O/c1-19(3-2-11(12,13)14)9-16-8(15)17-10(18-9)20-4-6-21-7-5-20/h2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 306.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-morpholin-4-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80830319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).