4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine

C10H12N6OS — CID 80889694

IUPAC4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2cnccn2)n1
InChIInChI=1S/C10H12N6OS/c1-3-17-9-14-8(11-2)15-10(16-9)18-7-6-12-4-5-13-7/h4-6H,3H2,1-2H3,(H,11,14,15,16)
InChIKeyKMRFEDPMCKBJRL-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.25
Rot. Bonds5

About 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80889694) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80889694
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2cnccn2)n1
InChIInChI=1S/C10H12N6OS/c1-3-17-9-14-8(11-2)15-10(16-9)18-7-6-12-4-5-13-7/h4-6H,3H2,1-2H3,(H,11,14,15,16)
InChIKeyKMRFEDPMCKBJRL-UHFFFAOYSA-N
XLogP1.25
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889440
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604911
2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887509
N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
CID 114788385
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
N-methyl-4-(4-methylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80885091
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 107784913
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80889694) is 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(Sc2cnccn2)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is KMRFEDPMCKBJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-3-17-9-14-8(11-2)15-10(16-9)18-7-6-12-4-5-13-7/h4-6H,3H2,1-2H3,(H,11,14,15,16).
What are the key properties of 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 264.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).