2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

C10H11N5OS — CID 80893548

IUPAC2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H11N5OS/c1-5-8(11)13-6(2)14-9(5)17-10-12-4-3-7(16)15-10/h3-4H,1-2H3,(H2,11,13,14)(H,12,15,16)
InChIKeyTTZKREDJGWDXPI-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.91
Rot. Bonds2

About 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one

2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 80893548) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
PubChem CID80893548
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(C)c(Sc2nccc(=O)[nH]2)n1
InChIInChI=1S/C10H11N5OS/c1-5-8(11)13-6(2)14-9(5)17-10-12-4-3-7(16)15-10/h3-4H,1-2H3,(H2,11,13,14)(H,12,15,16)
InChIKeyTTZKREDJGWDXPI-UHFFFAOYSA-N
XLogP0.91
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one (CID 80893548) is 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is Cc1nc(N)c(C)c(Sc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is TTZKREDJGWDXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-5-8(11)13-6(2)14-9(5)17-10-12-4-3-7(16)15-10/h3-4H,1-2H3,(H2,11,13,14)(H,12,15,16).
What are the key properties of 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one?
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 249.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80893548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).