6-(2-methylpropyl)-1H-pyrimidine-4-thione

C8H12N2S — CID 106481376

IUPAC6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc[nH]1
InChIInChI=1S/C8H12N2S/c1-6(2)3-7-4-8(11)10-5-9-7/h4-6H,3H2,1-2H3,(H,9,10,11)
InChIKeyMAUQFRHCRAXBNU-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.34
Rot. Bonds2

About 6-(2-methylpropyl)-1H-pyrimidine-4-thione

6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481376) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481376
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc[nH]1
InChIInChI=1S/C8H12N2S/c1-6(2)3-7-4-8(11)10-5-9-7/h4-6H,3H2,1-2H3,(H,9,10,11)
InChIKeyMAUQFRHCRAXBNU-UHFFFAOYSA-N
XLogP2.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.34
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

5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106517843
2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 136700027
6-(2-methylpropyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776854
5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084
6-(2-methylpropyl)-2-(5-methylpyrimidin-2-yl)-1H-pyrimidine-4-thione
CID 106481311
2-[2-(dimethylamino)ethyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481393
6-amino-1H-pyrimidine-4-thione
CID 3813846
6-tert-butyl-1H-pyrimidine-4-thione
CID 106475912
2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481284
5-(2-methylpropyl)-1H-imidazol-4-ol
CID 57091779
4-chloro-6-(2-methylpropyl)-1H-benzimidazole
CID 154656324
6-(2-methylpropyl)-2-(2-phenylethyl)-1H-pyrimidine-4-thione
CID 106481341

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481376) is 6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is MAUQFRHCRAXBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(2)3-7-4-8(11)10-5-9-7/h4-6H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 6-(2-methylpropyl)-1H-pyrimidine-4-thione?
6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 168.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).