2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide

C20H26N6O3S — CID 650940

IUPAC2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
SMILESCC(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H26N6O3S/c1-15(17(27)21-16-5-3-2-4-6-16)30-20-23-18(25-7-11-28-12-8-25)22-19(24-20)26-9-13-29-14-10-26/h2-6,15H,7-14H2,1H3,(H,21,27)
InChIKeyYKGBCXHAMZKLCI-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.66
Rot. Bonds6

About 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide (PubChem CID 650940) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
PubChem CID650940
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Name2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
SMILESCC(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H26N6O3S/c1-15(17(27)21-16-5-3-2-4-6-16)30-20-23-18(25-7-11-28-12-8-25)22-19(24-20)26-9-13-29-14-10-26/h2-6,15H,7-14H2,1H3,(H,21,27)
InChIKeyYKGBCXHAMZKLCI-UHFFFAOYSA-N
XLogP1.66
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 40963418
(2R)-N-(3,4-dichlorophenyl)-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanamide
CID 1002161
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
CID 2989170
2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoic acid
CID 4767594
(2S)-2-(1-benzylimidazol-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 25339313
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 46572840
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
(2R)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40785630
(2R)-N-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 2474766

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide (CID 650940) is 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide is CC(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide?
The InChIKey is YKGBCXHAMZKLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-15(17(27)21-16-5-3-2-4-6-16)30-20-23-18(25-7-11-28-12-8-25)22-19(24-20)26-9-13-29-14-10-26/h2-6,15H,7-14H2,1H3,(H,21,27).
What are the key properties of 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide?
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide has a molecular weight of 430.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 650940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).