6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione

C11H16N2S2 — CID 106482015

IUPAC6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
SMILESCSCc1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C11H16N2S2/c1-15-7-10-12-9(6-11(14)13-10)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyUDOIUXRJWQWHBG-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.66
Rot. Bonds3

About 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione (PubChem CID 106482015) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
PubChem CID106482015
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
SMILESCSCc1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C11H16N2S2/c1-15-7-10-12-9(6-11(14)13-10)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyUDOIUXRJWQWHBG-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481920
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
6-cyclopentyl-2-[(3-fluorophenyl)methyl]-1H-pyrimidine-4-thione
CID 106482009
2-(cyclohexylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475675
2-benzyl-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478384
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
6-cyclopropyl-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidine-4-thione
CID 106478452
6-(1-methylpyrazol-4-yl)-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106716320
2-[(3-chlorophenyl)methyl]-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478553
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106481815

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione (CID 106482015) is 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione is CSCc1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
The InChIKey is UDOIUXRJWQWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-15-7-10-12-9(6-11(14)13-10)8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione has a molecular weight of 240.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106482015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).