N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H21N5OS — CID 977239

IUPACN-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5OS/c1-12(2,3)16-9-13-10(15-11(14-9)19-4)17-5-7-18-8-6-17/h5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyNJATVSQWFPRFIH-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.64
Rot. Bonds3

About N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 977239) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID977239
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5OS/c1-12(2,3)16-9-13-10(15-11(14-9)19-4)17-5-7-18-8-6-17/h5-8H2,1-4H3,(H,13,14,15,16)
InChIKeyNJATVSQWFPRFIH-UHFFFAOYSA-N
XLogP1.64
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-{[4-(Isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 898986
N-methyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976523
2-N,4-N-ditert-butyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 2826898
4-(Methylthio)-6-morpholino-1,3,5-triazin-2-amine
CID 2726604
4-(ethylthio)-N-isopropyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2992695
2-[[4-(Tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
CID 3158767
4-ethylsulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 6491507
N~2~-(sec-butyl)-N~4~-(tert-butyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 3094335
(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl) thiocyanate
CID 139227400
N-(tert-butyl)-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 685323

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 977239) is N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NJATVSQWFPRFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-12(2,3)16-9-13-10(15-11(14-9)19-4)17-5-7-18-8-6-17/h5-8H2,1-4H3,(H,13,14,15,16).
What are the key properties of N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 977239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).