2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium

C6H7N2SY- — CID 58291733

IUPAC2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium
SMILESCc1[c-]c(=S)nc(C)[nH]1.[Y]
InChIInChI=1S/C6H7N2S.Y/c1-4-3-6(9)8-5(2)7-4;/h1-2H3,(H,7,8,9);/q-1;
InChIKeyBBWZNFFJDQAGPW-UHFFFAOYSA-N
MW228.11 g/mol
LogP1.55
Rot. Bonds

About 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium

2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium (PubChem CID 58291733) has the molecular formula C6H7N2SY- and a molecular weight of 228.11 g/mol. Its IUPAC name is 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium.

Molecular Properties

Compound Name2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium
PubChem CID58291733
Molecular FormulaC6H7N2SY-
Molecular Weight228.11 g/mol
Exact Mass227.94
IUPAC Name2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium
SMILESCc1[c-]c(=S)nc(C)[nH]1.[Y]
InChIInChI=1S/C6H7N2S.Y/c1-4-3-6(9)8-5(2)7-4;/h1-2H3,(H,7,8,9);/q-1;
InChIKeyBBWZNFFJDQAGPW-UHFFFAOYSA-N
XLogP1.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethylpyrimidine-4-thiol
CID 4410552
4-Mercapto-2,6-dimethylpyrimidine-5-carbonitrile
CID 16227908
2,5,6-trimethyl-1H-pyrimidine-4-thione
CID 53976269
5-amino-2,6-dimethyl-1H-pyrimidine-4-thione
CID 83668811
5-chloro-2,6-dimethyl-1H-pyrimidine-4-thione
CID 141872619
2-ethyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 94077048
5-bromo-2,6-dimethyl-1H-pyrimidine-4-thione
CID 121602256
6-ethynyl-2-methyl-1H-pyrimidine-4-thione
CID 130667240

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium?
The IUPAC name of 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium (CID 58291733) is 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium.
What is the SMILES notation for 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium?
The canonical SMILES for 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium is Cc1[c-]c(=S)nc(C)[nH]1.[Y].
What is the InChIKey of 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium?
The InChIKey is BBWZNFFJDQAGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2S.Y/c1-4-3-6(9)8-5(2)7-4;/h1-2H3,(H,7,8,9);/q-1;.
What are the key properties of 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium?
2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium has a molecular weight of 228.11 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,5-dihydropyrimidin-5-ide-4-thione;yttrium is sourced from PubChem (CID 58291733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).