2-chloro-6-methyl-1H-pyrimidine-4-thione

C5H5ClN2S — CID 144648806

IUPAC2-chloro-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(Cl)[nH]1
InChIInChI=1S/C5H5ClN2S/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H,7,8,9)
InChIKeyJEBVDZZJMZTBQH-UHFFFAOYSA-N
MW160.63 g/mol
LogP2.10
Rot. Bonds

About 2-chloro-6-methyl-1H-pyrimidine-4-thione

2-chloro-6-methyl-1H-pyrimidine-4-thione (PubChem CID 144648806) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 2-chloro-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-chloro-6-methyl-1H-pyrimidine-4-thione
PubChem CID144648806
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name2-chloro-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(Cl)[nH]1
InChIInChI=1S/C5H5ClN2S/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H,7,8,9)
InChIKeyJEBVDZZJMZTBQH-UHFFFAOYSA-N
XLogP2.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3,4-dihydropyrimidine-4-thione
CID 4557596
2,6-Dimethylpyrimidine-4-thiol
CID 4410552
2-Amino-6-methylpyrimidine-4-thiol
CID 2781477
2-Chloro-5-fluoro-4-methyl sulfanyl-pyrimidine
CID 121364232
2-Chloro-6-methyl-1,4-dihydropyrimidine
CID 126706927
(6-methyl-4-sulfanylidene-1H-pyrimidin-2-yl) thiocyanate
CID 141872522
ethane;6-methyl-1H-pyrimidine-4-thione
CID 145330357
5-Amino-2-chloro-6-methylpyrimidine-4-thiol
CID 108138463
6-Methyl-2-(trichloromethyl)-3,4-dihydropyrimidine-4-thione
CID 165467153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-chloro-6-methyl-1H-pyrimidine-4-thione (CID 144648806) is 2-chloro-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-chloro-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-chloro-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(Cl)[nH]1.
What is the InChIKey of 2-chloro-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is JEBVDZZJMZTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H,7,8,9).
What are the key properties of 2-chloro-6-methyl-1H-pyrimidine-4-thione?
2-chloro-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 160.63 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 144648806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).