2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione

C11H16N2S2 — CID 106475564

IUPAC2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CSC2CCCC2)[nH]1
InChIInChI=1S/C11H16N2S2/c1-8-6-11(14)13-10(12-8)7-15-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyRQFLHNMYCHBJIP-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.62
Rot. Bonds3

About 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione

2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475564) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475564
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CSC2CCCC2)[nH]1
InChIInChI=1S/C11H16N2S2/c1-8-6-11(14)13-10(12-8)7-15-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyRQFLHNMYCHBJIP-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-(cyclopentylsulfanylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475313
6-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106475567
2-(3-ethyl-1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475568
6-methyl-2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475672
2-(tert-butylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475673
2-(cyclohexylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475675
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475692
6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475751
6-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106475756
6-methyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475777
6-methyl-2-(propylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106475785
2-(butan-2-ylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475786

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475564) is 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CSC2CCCC2)[nH]1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RQFLHNMYCHBJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-8-6-11(14)13-10(12-8)7-15-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione?
2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 240.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).