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

C11H14N4S — CID 136700027

IUPAC2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(-c2ncc[nH]2)[nH]1
InChIInChI=1S/C11H14N4S/c1-7(2)5-8-6-9(16)15-11(14-8)10-12-3-4-13-10/h3-4,6-7H,5H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyRHQCVUVMPFMDGZ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.73
Rot. Bonds3

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

2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 136700027) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID136700027
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(-c2ncc[nH]2)[nH]1
InChIInChI=1S/C11H14N4S/c1-7(2)5-8-6-9(16)15-11(14-8)10-12-3-4-13-10/h3-4,6-7H,5H2,1-2H3,(H,12,13)(H,14,15,16)
InChIKeyRHQCVUVMPFMDGZ-UHFFFAOYSA-N
XLogP2.73
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696563
6-(2-methylpropyl)-2-(5-methylpyrimidin-2-yl)-1H-pyrimidine-4-thione
CID 106481311
2-(1-methylimidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481284
6-(2-methylpropyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106481332
2-(3-fluoro-5-methylphenyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481282
6-(2-methylpropyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776854
2-[2-(dimethylamino)ethyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481393
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481376
6-(2-methylpropyl)-2-thieno[3,2-b]pyridin-6-yl-1H-pyrimidine-4-thione
CID 106481392
6-(2-methylpropyl)-2-(1-phenylcyclopropyl)-1H-pyrimidine-4-thione
CID 106481422
6-(2-methylpropyl)-2-(2-phenylethyl)-1H-pyrimidine-4-thione
CID 106481341

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 136700027) is 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(-c2ncc[nH]2)[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is RHQCVUVMPFMDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7(2)5-8-6-9(16)15-11(14-8)10-12-3-4-13-10/h3-4,6-7H,5H2,1-2H3,(H,12,13)(H,14,15,16).
What are the key properties of 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 234.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 136700027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).