6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione

C16H19N3S — CID 106481815

IUPAC6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1cnc(-c2nc(=S)cc(C3CCCC3)[nH]2)c(C)c1
InChIInChI=1S/C16H19N3S/c1-10-7-11(2)15(17-9-10)16-18-13(8-14(20)19-16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyGEIHVVIMQCHDJA-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.48
Rot. Bonds2

About 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione

6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106481815) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106481815
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1cnc(-c2nc(=S)cc(C3CCCC3)[nH]2)c(C)c1
InChIInChI=1S/C16H19N3S/c1-10-7-11(2)15(17-9-10)16-18-13(8-14(20)19-16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyGEIHVVIMQCHDJA-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.48
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
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
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-(5-bromo-2-pyridinyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478379
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
6-cyclopropyl-2-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106478535
6-cyclopropyl-2-pyrimidin-4-yl-1H-pyrimidine-4-thione
CID 106478421
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione (CID 106481815) is 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione is Cc1cnc(-c2nc(=S)cc(C3CCCC3)[nH]2)c(C)c1.
What is the InChIKey of 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is GEIHVVIMQCHDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10-7-11(2)15(17-9-10)16-18-13(8-14(20)19-16)12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione?
6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 285.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(3,5-dimethyl-2-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).