2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C17H30N6O — CID 754499

IUPAC2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H30N6O/c1-17(2,3)22-15-19-14(18-13-7-5-4-6-8-13)20-16(21-15)23-9-11-24-12-10-23/h13H,4-12H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyLEFZPEBZXQSSAK-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.66
Rot. Bonds4

About 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 754499) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID754499
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC2CCCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H30N6O/c1-17(2,3)22-15-19-14(18-13-7-5-4-6-8-13)20-16(21-15)23-9-11-24-12-10-23/h13H,4-12H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyLEFZPEBZXQSSAK-UHFFFAOYSA-N
XLogP2.66
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 754499) is 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(NC2CCCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LEFZPEBZXQSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-17(2,3)22-15-19-14(18-13-7-5-4-6-8-13)20-16(21-15)23-9-11-24-12-10-23/h13H,4-12H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 334.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-cyclohexyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 754499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).