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

C11H20N6OS — CID 845248

IUPAC2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nc(NC(C)C)nc(SCC(N)=O)n1
InChIInChI=1S/C11H20N6OS/c1-6(2)13-9-15-10(14-7(3)4)17-11(16-9)19-5-8(12)18/h6-7H,5H2,1-4H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyQCBQQGJBOVXOOK-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.09
Rot. Bonds7

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

2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 845248) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID845248
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nc(NC(C)C)nc(SCC(N)=O)n1
InChIInChI=1S/C11H20N6OS/c1-6(2)13-9-15-10(14-7(3)4)17-11(16-9)19-5-8(12)18/h6-7H,5H2,1-4H3,(H2,12,18)(H2,13,14,15,16,17)
InChIKeyQCBQQGJBOVXOOK-UHFFFAOYSA-N
XLogP1.09
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 845248) is 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide is CC(C)Nc1nc(NC(C)C)nc(SCC(N)=O)n1.
What is the InChIKey of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is QCBQQGJBOVXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-6(2)13-9-15-10(14-7(3)4)17-11(16-9)19-5-8(12)18/h6-7H,5H2,1-4H3,(H2,12,18)(H2,13,14,15,16,17).
What are the key properties of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 284.39 g/mol, XLogP of 1.09, 7 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]acetamide is sourced from PubChem (CID 845248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).