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

C12H20N6O2S — CID 898986

IUPAC2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O2S/c1-8(2)14-10-15-11(18-3-5-20-6-4-18)17-12(16-10)21-7-9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyYVSBLFUITKEFSW-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.11
Rot. Bonds6

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

2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 898986) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID898986
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O2S/c1-8(2)14-10-15-11(18-3-5-20-6-4-18)17-12(16-10)21-7-9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17)
InChIKeyYVSBLFUITKEFSW-UHFFFAOYSA-N
XLogP0.11
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.11
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]acetamide?
The IUPAC name of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 898986) is 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(C)Nc1nc(SCC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is YVSBLFUITKEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-8(2)14-10-15-11(18-3-5-20-6-4-18)17-12(16-10)21-7-9(13)19/h8H,3-7H2,1-2H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 312.40 g/mol, XLogP of 0.11, 6 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]acetamide is sourced from PubChem (CID 898986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).