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

C11H17N3S — CID 106481828

IUPAC6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-14(2)11-12-9(7-10(15)13-11)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyLYBUKPVMUYOYJG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.86
Rot. Bonds2

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

6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione (PubChem CID 106481828) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione
PubChem CID106481828
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-14(2)11-12-9(7-10(15)13-11)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyLYBUKPVMUYOYJG-UHFFFAOYSA-N
XLogP2.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.86
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

6-(2-methylpropyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106481269
2-(dimethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481295
6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106481296
2-(diethylamino)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481415
6-cyclopentyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106481798
6-cyclopentyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106481799
2-(azepan-1-yl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481827
6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106481829
6-cyclopentyl-2-[2-(diethylamino)ethyl]-1H-pyrimidine-4-thione
CID 106481900
6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481906
6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
CID 106481922
6-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidine-4-thione
CID 106481953

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione (CID 106481828) is 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione is CN(C)c1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
The InChIKey is LYBUKPVMUYOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-14(2)11-12-9(7-10(15)13-11)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(dimethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).