sodium 4,6-dimethylpyrimidine-2-thiolate

C6H7N2NaS — CID 23669009

IUPACsodium 4,6-dimethylpyrimidine-2-thiolate
SMILESCc1cc(C)nc([S-])n1.[Na+]
InChIInChI=1S/C6H8N2S.Na/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyHUDKHPCVAMVYEQ-UHFFFAOYSA-M
MW162.19 g/mol
LogP-2.00
Rot. Bonds

About sodium 4,6-dimethylpyrimidine-2-thiolate

sodium 4,6-dimethylpyrimidine-2-thiolate (PubChem CID 23669009) has the molecular formula C6H7N2NaS and a molecular weight of 162.19 g/mol. Its IUPAC name is sodium 4,6-dimethylpyrimidine-2-thiolate.

Molecular Properties

Compound Namesodium 4,6-dimethylpyrimidine-2-thiolate
PubChem CID23669009
Molecular FormulaC6H7N2NaS
Molecular Weight162.19 g/mol
Exact Mass162.02
IUPAC Namesodium 4,6-dimethylpyrimidine-2-thiolate
SMILESCc1cc(C)nc([S-])n1.[Na+]
InChIInChI=1S/C6H8N2S.Na/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);/q;+1/p-1
InChIKeyHUDKHPCVAMVYEQ-UHFFFAOYSA-M
XLogP-2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethyl pyrimidine
CID 13021
2-Chloro-4,6-dimethylpyrimidine
CID 20550
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
CID 600769
4,6-Dimethylpyrimidine
CID 15257
2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
CID 736679
4,6-Dimethylpyrimidin-2-ylthiourea
CID 747500
2-Hydrazinyl-4,6-dimethylpyrimidine
CID 350535
4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
2-({[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}sulfanyl)-4,6-dimethylpyrimidine
CID 802777
1-Cyano-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylthiourea
CID 847357
N,4,6-Trimethyl-2-pyrimidinamine
CID 12223747
2-Chloro-4-ethyl-6-methylpyrimidine
CID 593377

Frequently Asked Questions

What is the IUPAC name of sodium 4,6-dimethylpyrimidine-2-thiolate?
The IUPAC name of sodium 4,6-dimethylpyrimidine-2-thiolate (CID 23669009) is sodium 4,6-dimethylpyrimidine-2-thiolate.
What is the SMILES notation for sodium 4,6-dimethylpyrimidine-2-thiolate?
The canonical SMILES for sodium 4,6-dimethylpyrimidine-2-thiolate is Cc1cc(C)nc([S-])n1.[Na+].
What is the InChIKey of sodium 4,6-dimethylpyrimidine-2-thiolate?
The InChIKey is HUDKHPCVAMVYEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2S.Na/c1-4-3-5(2)8-6(9)7-4;/h3H,1-2H3,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium 4,6-dimethylpyrimidine-2-thiolate?
sodium 4,6-dimethylpyrimidine-2-thiolate has a molecular weight of 162.19 g/mol, XLogP of -2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4,6-dimethylpyrimidine-2-thiolate is sourced from PubChem (CID 23669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).