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

C19H26N6O2S — CID 2230192

IUPAC2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCC(C)CNc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H26N6O2S/c1-14(2)12-20-17-22-18(25-8-10-27-11-9-25)24-19(23-17)28-13-16(26)21-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,26)(H,20,22,23,24)
InChIKeyOODAOECMBSFWAK-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.51
Rot. Bonds8

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

2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2230192) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID2230192
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide
SMILESCC(C)CNc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H26N6O2S/c1-14(2)12-20-17-22-18(25-8-10-27-11-9-25)24-19(23-17)28-13-16(26)21-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,26)(H,20,22,23,24)
InChIKeyOODAOECMBSFWAK-UHFFFAOYSA-N
XLogP2.51
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide (CID 2230192) is 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide is CC(C)CNc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is OODAOECMBSFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-14(2)12-20-17-22-18(25-8-10-27-11-9-25)24-19(23-17)28-13-16(26)21-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,26)(H,20,22,23,24).
What are the key properties of 2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide?
2-[[4-(2-methylpropylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 402.52 g/mol, XLogP of 2.51, 8 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]-N-phenylacetamide is sourced from PubChem (CID 2230192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).