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

C15H28N6O — CID 3094335

IUPAC4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Nc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C15H28N6O/c1-6-11(2)16-12-17-13(20-15(3,4)5)19-14(18-12)21-7-9-22-10-8-21/h11H,6-10H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyIFJONHLXYNDRNC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.13
Rot. Bonds5

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

4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 3094335) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID3094335
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Nc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C15H28N6O/c1-6-11(2)16-12-17-13(20-15(3,4)5)19-14(18-12)21-7-9-22-10-8-21/h11H,6-10H2,1-5H3,(H2,16,17,18,19,20)
InChIKeyIFJONHLXYNDRNC-UHFFFAOYSA-N
XLogP2.13
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-cyclopentyl-amine
CID 790425
2-N-tert-butyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3762337
N-isopropyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 898987
N-isobutyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 935626
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412
6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097
6-Chloro-N4-[2-(morpholin-4-YL)ethyl]-N2,N2-dipropyl-1,3,5-triazine-2,4-diamine
CID 783135
N-(tert-butyl)-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 977239
s-Triazine, 2,4-bis(methylamino)-6-morpholino-, hydrochloride
CID 204413

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 3094335) is 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCC(C)Nc1nc(NC(C)(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is IFJONHLXYNDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-6-11(2)16-12-17-13(20-15(3,4)5)19-14(18-12)21-7-9-22-10-8-21/h11H,6-10H2,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 308.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-tert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3094335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).