6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione

C16H19N3S — CID 106481860

IUPAC6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione
SMILESCCc1cnccc1-c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C16H19N3S/c1-2-11-10-17-8-7-13(11)16-18-14(9-15(20)19-16)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19,20)
InChIKeyUIVSYTCQHKJKOW-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.42
Rot. Bonds3

About 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106481860) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106481860
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione
SMILESCCc1cnccc1-c1nc(=S)cc(C2CCCC2)[nH]1
InChIInChI=1S/C16H19N3S/c1-2-11-10-17-8-7-13(11)16-18-14(9-15(20)19-16)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19,20)
InChIKeyUIVSYTCQHKJKOW-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.42
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-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106481823
6-cyclopropyl-2-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106478535
6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
CID 106478421
2-(3-ethyl-4-pyridinyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477890
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106481815
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
2-(3-bromophenyl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481904
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
5-bromo-2-(3-ethyl-4-pyridinyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480564
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
6-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106478585
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione (CID 106481860) is 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione is CCc1cnccc1-c1nc(=S)cc(C2CCCC2)[nH]1.
What is the InChIKey of 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is UIVSYTCQHKJKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-11-10-17-8-7-13(11)16-18-14(9-15(20)19-16)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 285.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(3-ethyl-4-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).