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

C13H21N3S — CID 106481922

IUPAC6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
SMILESCN(C)CCc1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C13H21N3S/c1-16(2)8-7-12-14-11(9-13(17)15-12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyBVOOXBYXNSXSMH-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.90
Rot. Bonds4

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

6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione (PubChem CID 106481922) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
PubChem CID106481922
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione
SMILESCN(C)CCc1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C13H21N3S/c1-16(2)8-7-12-14-11(9-13(17)15-12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyBVOOXBYXNSXSMH-UHFFFAOYSA-N
XLogP2.90
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.90
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-cyclopentyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106481857
6-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113839854
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475148
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159
2-[2-(dimethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475169
2-cyclopentyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475301
2-(3-methylbutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475329
2-[2-(diethylamino)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475406

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione (CID 106481922) is 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione is CN(C)CCc1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione?
The InChIKey is BVOOXBYXNSXSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-16(2)8-7-12-14-11(9-13(17)15-12)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione?
6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione has a molecular weight of 251.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).