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

C9H12N2S — CID 106475707

IUPAC2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCC2)[nH]1
InChIInChI=1S/C9H12N2S/c1-6-5-8(12)11-9(10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,11,12)
InChIKeyPODGGHNPIDBXJE-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.72
Rot. Bonds1

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

2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475707) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475707
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CCC2)[nH]1
InChIInChI=1S/C9H12N2S/c1-6-5-8(12)11-9(10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,11,12)
InChIKeyPODGGHNPIDBXJE-UHFFFAOYSA-N
XLogP2.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.72
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

2-cyclobutyl-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
CID 116862510
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidine-4-thione
CID 106475814
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-(cyclopropylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475596
2-cycloheptyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716429
2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
CID 106519261
2-(cyclohexylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475675
2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
CID 82946449
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-(3-ethylcyclohexyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481501

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione (CID 106475707) is 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CCC2)[nH]1.
What is the InChIKey of 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is PODGGHNPIDBXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6-5-8(12)11-9(10-6)7-3-2-4-7/h5,7H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione?
2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 180.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).