2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide

C19H28N6OS — CID 110191748

IUPAC2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C19H28N6OS/c1-11(2)20-17-23-18(21-12(3)4)25-19(24-17)27-10-15(26)22-16-13(5)8-7-9-14(16)6/h7-9,11-12H,10H2,1-6H3,(H,22,26)(H2,20,21,23,24,25)
InChIKeyFLRMHLPPWMMQLW-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.86
Rot. Bonds8

About 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide

2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 110191748) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID110191748
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CSc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C19H28N6OS/c1-11(2)20-17-23-18(21-12(3)4)25-19(24-17)27-10-15(26)22-16-13(5)8-7-9-14(16)6/h7-9,11-12H,10H2,1-6H3,(H,22,26)(H2,20,21,23,24,25)
InChIKeyFLRMHLPPWMMQLW-UHFFFAOYSA-N
XLogP3.86
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7415946
N-(2,6-dimethylphenyl)-2-(3,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 3867369
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 9423677
2-[[4,6-bis[[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-[(1R,6R)-2,6-dimethylcyclohexa-2,4-dien-1-yl]acetamide
CID 99690013
N-(2,6-dimethylphenyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857032
N-(2,6-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464045
[2-(2,6-dimethylanilino)-2-oxoethyl] thiocyanate
CID 5061616
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 43250576
N-(2,6-dimethylphenyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7538406
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
N-(2,6-dimethylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 720190
2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 135445799

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide (CID 110191748) is 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CSc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is FLRMHLPPWMMQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-11(2)20-17-23-18(21-12(3)4)25-19(24-17)27-10-15(26)22-16-13(5)8-7-9-14(16)6/h7-9,11-12H,10H2,1-6H3,(H,22,26)(H2,20,21,23,24,25).
What are the key properties of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 388.54 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 110191748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).