2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione

C11H16N2S — CID 106475201

IUPAC2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-2-4-9-7-10(14)13-11(12-9)8-5-3-6-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyCHUMEUAVOYMISV-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.36
Rot. Bonds3

About 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione

2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475201) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475201
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCC2)[nH]1
InChIInChI=1S/C11H16N2S/c1-2-4-9-7-10(14)13-11(12-9)8-5-3-6-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyCHUMEUAVOYMISV-UHFFFAOYSA-N
XLogP3.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106481297
6-(2-methylpropyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106481324
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025
2-Methyl-6-propyl-pyrimidine-4-thiol
CID 94077037
2-Ethyl-6-isopropyl-pyrimidine-4-thiol
CID 94077046
2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 94077047
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-tert-butyl-6-propyl-1H-pyrimidine-4-thione
CID 106475049

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione (CID 106475201) is 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCC2)[nH]1.
What is the InChIKey of 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is CHUMEUAVOYMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-4-9-7-10(14)13-11(12-9)8-5-3-6-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione?
2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 208.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).