6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

C14H21N3S — CID 106481829

IUPAC6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CCCC2)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C14H21N3S/c18-13-10-12(11-6-2-3-7-11)15-14(16-13)17-8-4-1-5-9-17/h10-11H,1-9H2,(H,15,16,18)
InChIKeyHTBQYJOYTWEQLM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.79
Rot. Bonds2

About 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106481829) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106481829
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CCCC2)[nH]c(N2CCCCC2)n1
InChIInChI=1S/C14H21N3S/c18-13-10-12(11-6-2-3-7-11)15-14(16-13)17-8-4-1-5-9-17/h10-11H,1-9H2,(H,15,16,18)
InChIKeyHTBQYJOYTWEQLM-UHFFFAOYSA-N
XLogP3.79
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.79
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-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476082
6-cyclopropyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106478362
2-(4-methylpiperazin-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481268
6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106481296
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-(dimethylamino)-1H-pyrimidine-4-thione
CID 106481828
5-bromo-6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106482069
2-(azepan-1-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 113839767

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (CID 106481829) is 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is S=c1cc(C2CCCC2)[nH]c(N2CCCCC2)n1.
What is the InChIKey of 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is HTBQYJOYTWEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c18-13-10-12(11-6-2-3-7-11)15-14(16-13)17-8-4-1-5-9-17/h10-11H,1-9H2,(H,15,16,18).
What are the key properties of 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 263.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).