2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide

C13H22N6O2S — CID 934614

IUPAC2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)CNc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O2S/c1-9(2)7-15-11-16-12(19-3-5-21-6-4-19)18-13(17-11)22-8-10(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,16,17,18)
InChIKeyQTLDTLPALUKREM-UHFFFAOYSA-N
MW326.43 g/mol
LogP0.35
Rot. Bonds7

About 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 934614) has the molecular formula C13H22N6O2S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID934614
Molecular FormulaC13H22N6O2S
Molecular Weight326.43 g/mol
Exact Mass326.15
IUPAC Name2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)CNc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O2S/c1-9(2)7-15-11-16-12(19-3-5-21-6-4-19)18-13(17-11)22-8-10(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,16,17,18)
InChIKeyQTLDTLPALUKREM-UHFFFAOYSA-N
XLogP0.35
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

(4-Methylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetic acid methyl ester
CID 654176
Methyl {[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetate
CID 935078
N-isobutyl-4-(methylthio)-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 935626
ethyl N-({[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetyl)glycinate
CID 2242390
(4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-acetic acid methyl ester
CID 650609
2-{[4-(Isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetamide
CID 898986
2-(4-Ethylamino-6-morpholin-4-yl-[1,3,5]triazin-2-ylsulfanyl)-propionic acid methyl ester
CID 644949
Methyl {[4-(isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}acetate
CID 1251508
2-({4-(Dimethylamino)-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl}sulfanyl)acetamide
CID 2992390
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 40789334
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 934614) is 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(C)CNc1nc(SCC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is QTLDTLPALUKREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2S/c1-9(2)7-15-11-16-12(19-3-5-21-6-4-19)18-13(17-11)22-8-10(14)20/h9H,3-8H2,1-2H3,(H2,14,20)(H,15,16,17,18).
What are the key properties of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 934614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).