2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide

C19H25ClN6O2S — CID 1251122

IUPAC2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
SMILESCC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25ClN6O2S/c1-19(2,3)25-16-22-17(26-8-10-28-11-9-26)24-18(23-16)29-12-15(27)21-14-7-5-4-6-13(14)20/h4-7H,8-12H2,1-3H3,(H,21,27)(H,22,23,24,25)
InChIKeyGTJSDYDMVKNOQD-UHFFFAOYSA-N
MW436.97 g/mol
LogP3.30
Rot. Bonds6

About 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide

2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 1251122) has the molecular formula C19H25ClN6O2S and a molecular weight of 436.97 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID1251122
Molecular FormulaC19H25ClN6O2S
Molecular Weight436.97 g/mol
Exact Mass436.14
IUPAC Name2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
SMILESCC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25ClN6O2S/c1-19(2,3)25-16-22-17(26-8-10-28-11-9-26)24-18(23-16)29-12-15(27)21-14-7-5-4-6-13(14)20/h4-7H,8-12H2,1-3H3,(H,21,27)(H,22,23,24,25)
InChIKeyGTJSDYDMVKNOQD-UHFFFAOYSA-N
XLogP3.30
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-Chloro-phenyl)-2-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-ylsulfanyl)-acetamide
CID 1916401
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl (2,4-dichlorophenyl)carbamate
CID 1893478
2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}-N-phenylacetamide
CID 1002154
N-(3,4-dichlorophenyl)-2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 1002158
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 1091695
2-{[4-(isopropylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 1252702
2-{[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylpropanamide
CID 2949756
2-{[4-(benzylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylpropanamide
CID 2965140
N-(2,4-dichlorophenyl)-2-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]sulfanyl}acetamide
CID 2982514
2-{[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl}ethyl (2,4-dichlorophenyl)carbamate
CID 1893903
N-(4-((4-((4-chlorophenyl)amino)-6-morpholino-1,3,5-triazin-2-yl)amino)phenyl)acetamide
CID 16810767
2-{[4-(isobutylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio}-N-phenylacetamide
CID 2230192

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide (CID 1251122) is 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide is CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is GTJSDYDMVKNOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O2S/c1-19(2,3)25-16-22-17(26-8-10-28-11-9-26)24-18(23-16)29-12-15(27)21-14-7-5-4-6-13(14)20/h4-7H,8-12H2,1-3H3,(H,21,27)(H,22,23,24,25).
What are the key properties of 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 436.97 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 1251122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).