N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H21N5OS — CID 935626

IUPACN-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(NCC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5OS/c1-9(2)8-13-10-14-11(16-12(15-10)19-3)17-4-6-18-7-5-17/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyJLPLUZUSDJIKGD-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.50
Rot. Bonds5

About N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 935626) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID935626
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(NCC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N5OS/c1-9(2)8-13-10-14-11(16-12(15-10)19-3)17-4-6-18-7-5-17/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyJLPLUZUSDJIKGD-UHFFFAOYSA-N
XLogP1.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.50
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-methyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976523
N-(tert-butyl)-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 977239
Methyl {[4-(isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetate
CID 1251508
2-{[4-(Isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 934614
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-(Methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 971565
N~2~-(sec-butyl)-N~4~-(tert-butyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 3094335
6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 4575981
N-(tert-butyl)-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 685323
2-{[4-(Ethylamino)-6-morpholino-1,3,5-triazin-2-YL]sulfanyl}acetamide
CID 2200130

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 935626) is N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CSc1nc(NCC(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is JLPLUZUSDJIKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9(2)8-13-10-14-11(16-12(15-10)19-3)17-4-6-18-7-5-17/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-methylsulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 935626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).