2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide

C18H24N6O2S — CID 1252702

IUPAC2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCC(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2S/c1-13(2)19-16-21-17(24-8-10-26-11-9-24)23-18(22-16)27-12-15(25)20-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,25)(H,19,21,22,23)
InChIKeyPECBVMWABHVJIQ-UHFFFAOYSA-N
MW388.50 g/mol
LogP2.26
Rot. Bonds7

About 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide

2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 1252702) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID1252702
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCC(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2S/c1-13(2)19-16-21-17(24-8-10-26-11-9-24)23-18(22-16)27-12-15(25)20-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,25)(H,19,21,22,23)
InChIKeyPECBVMWABHVJIQ-UHFFFAOYSA-N
XLogP2.26
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (CID 1252702) is 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is CC(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is PECBVMWABHVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13(2)19-16-21-17(24-8-10-26-11-9-24)23-18(22-16)27-12-15(25)20-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,20,25)(H,19,21,22,23).
What are the key properties of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 388.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 1252702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).