1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium

C7H10N2SY — CID 59922663

IUPAC1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium
SMILESCc1cc(C)[n+](C)c([S-])n1.[Y]
InChIInChI=1S/C7H10N2S.Y/c1-5-4-6(2)9(3)7(10)8-5;/h4H,1-3H3;
InChIKeyBGRYEHWUHRFTNN-UHFFFAOYSA-N
MW243.14 g/mol
LogP0.43
Rot. Bonds

About 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium

1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium (PubChem CID 59922663) has the molecular formula C7H10N2SY and a molecular weight of 243.14 g/mol. Its IUPAC name is 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium.

Molecular Properties

Compound Name1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium
PubChem CID59922663
Molecular FormulaC7H10N2SY
Molecular Weight243.14 g/mol
Exact Mass242.96
IUPAC Name1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium
SMILESCc1cc(C)[n+](C)c([S-])n1.[Y]
InChIInChI=1S/C7H10N2S.Y/c1-5-4-6(2)9(3)7(10)8-5;/h4H,1-3H3;
InChIKeyBGRYEHWUHRFTNN-UHFFFAOYSA-N
XLogP0.43
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4,6-tetramethylpyrimidin-1-ium
CID 3774525
5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
CID 786277
4,6-dimethylpyrimidin-1-ium-1,2-diamine
CID 22220794
2,6-dimethyl-4-[2,3,4-tris(2,6-dimethyl-4-pyridinyl)cyclopenta-1,3-dien-1-yl]pyridine
CID 101475098
5-(1,4,6-trimethylpyrimidin-1-ium-2-yl)pentanoic acid
CID 177163771
2,4,7-trimethylpyrido[1,2-a]pyrimidin-5-ium-9-ol chloride
CID 10105065
sulfane;2,4,6-trimethylpyridine
CID 69294176
3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole
CID 59079256
2,3-dimethylisoquinolin-2-ium chloride
CID 44890141
2,5,7-trimethyl-2H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium
CID 20578609
6-methyl-2-methylsulfanylpyrimidine-4-thiolate
CID 53491182
perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 126959837

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium?
The IUPAC name of 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium (CID 59922663) is 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium.
What is the SMILES notation for 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium?
The canonical SMILES for 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium is Cc1cc(C)[n+](C)c([S-])n1.[Y].
What is the InChIKey of 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium?
The InChIKey is BGRYEHWUHRFTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.Y/c1-5-4-6(2)9(3)7(10)8-5;/h4H,1-3H3;.
What are the key properties of 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium?
1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium has a molecular weight of 243.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethylpyrimidin-1-ium-2-thiolate;yttrium is sourced from PubChem (CID 59922663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).