2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide

C8H13N5O2S — CID 2237411

IUPAC2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(OC)nc(SCC(N)=O)n1
InChIInChI=1S/C8H13N5O2S/c1-3-10-6-11-7(15-2)13-8(12-6)16-4-5(9)14/h3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13)
InChIKeyMSWVWYZPJLLYMN-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.11
Rot. Bonds6

About 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 2237411) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID2237411
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCCNc1nc(OC)nc(SCC(N)=O)n1
InChIInChI=1S/C8H13N5O2S/c1-3-10-6-11-7(15-2)13-8(12-6)16-4-5(9)14/h3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13)
InChIKeyMSWVWYZPJLLYMN-UHFFFAOYSA-N
XLogP-0.11
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 2237411) is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide is CCNc1nc(OC)nc(SCC(N)=O)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is MSWVWYZPJLLYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c1-3-10-6-11-7(15-2)13-8(12-6)16-4-5(9)14/h3-4H2,1-2H3,(H2,9,14)(H,10,11,12,13).
What are the key properties of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 243.29 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2237411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).