2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C10H11N5OS2 — CID 80892827

IUPAC2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCNc1cc(Sc2nccc(=O)[nH]2)nc(SC)n1
InChIInChI=1S/C10H11N5OS2/c1-11-6-5-8(15-10(13-6)17-2)18-9-12-4-3-7(16)14-9/h3-5H,1-2H3,(H,11,13,15)(H,12,14,16)
InChIKeyYUZKMZZBLIDHPY-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.47
Rot. Bonds4

About 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 80892827) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID80892827
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC Name2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCNc1cc(Sc2nccc(=O)[nH]2)nc(SC)n1
InChIInChI=1S/C10H11N5OS2/c1-11-6-5-8(15-10(13-6)17-2)18-9-12-4-3-7(16)14-9/h3-5H,1-2H3,(H,11,13,15)(H,12,14,16)
InChIKeyYUZKMZZBLIDHPY-UHFFFAOYSA-N
XLogP1.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 80892827) is 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is CNc1cc(Sc2nccc(=O)[nH]2)nc(SC)n1.
What is the InChIKey of 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is YUZKMZZBLIDHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-11-6-5-8(15-10(13-6)17-2)18-9-12-4-3-7(16)14-9/h3-5H,1-2H3,(H,11,13,15)(H,12,14,16).
What are the key properties of 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 281.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80892827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).