2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one

C10H12N6O2S — CID 80893393

IUPAC2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCOc1nc(NC)nc(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H12N6O2S/c1-3-18-8-14-7(11-2)15-10(16-8)19-9-12-5-4-6(17)13-9/h4-5H,3H2,1-2H3,(H,12,13,17)(H,11,14,15,16)
InChIKeyZHKGPJXNUZZEPU-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.55
Rot. Bonds5

About 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one

2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 80893393) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID80893393
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCOc1nc(NC)nc(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H12N6O2S/c1-3-18-8-14-7(11-2)15-10(16-8)19-9-12-5-4-6(17)13-9/h4-5H,3H2,1-2H3,(H,12,13,17)(H,11,14,15,16)
InChIKeyZHKGPJXNUZZEPU-UHFFFAOYSA-N
XLogP0.55
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80873934
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893711
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604911
2-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 114566668
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 107784913
2-(4-aminopyrimidin-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 116798194
[4-(1H-benzimidazol-2-ylsulfanyl)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80920292
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one (CID 80893393) is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one is CCOc1nc(NC)nc(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ZHKGPJXNUZZEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-3-18-8-14-7(11-2)15-10(16-8)19-9-12-5-4-6(17)13-9/h4-5H,3H2,1-2H3,(H,12,13,17)(H,11,14,15,16).
What are the key properties of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one?
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 280.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 80893393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).