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

C16H18N2S — CID 106481823

IUPAC6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
SMILESCc1ccccc1-c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C16H18N2S/c1-11-6-2-5-9-13(11)16-17-14(10-15(19)18-16)12-7-3-4-8-12/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,17,18,19)
InChIKeyZLTGVKLBVRQHJL-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.77
Rot. Bonds2

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

6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione (PubChem CID 106481823) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
PubChem CID106481823
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione
SMILESCc1ccccc1-c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C16H18N2S/c1-11-6-2-5-9-13(11)16-17-14(10-15(19)18-16)12-7-3-4-8-12/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,17,18,19)
InChIKeyZLTGVKLBVRQHJL-UHFFFAOYSA-N
XLogP4.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.77
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

6-cyclopropyl-2-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106478535
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106481815
6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione
CID 106481860
2-(3-bromophenyl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481904
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
6-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106478585
6-cyclopropyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 106478359
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
6-cyclopentyl-2-[(3-fluorophenyl)methyl]-1H-pyrimidine-4-thione
CID 106482009

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione (CID 106481823) is 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione is Cc1ccccc1-c1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione?
The InChIKey is ZLTGVKLBVRQHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-11-6-2-5-9-13(11)16-17-14(10-15(19)18-16)12-7-3-4-8-12/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,17,18,19).
What are the key properties of 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione has a molecular weight of 270.40 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).