2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione

C11H16N2OS — CID 106475235

IUPAC2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-2-3-9-6-10(15)13-11(12-9)8-4-5-14-7-8/h6,8H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyVOJQREDINZBKFA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.60
Rot. Bonds3

About 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione

2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475235) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475235
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-2-3-9-6-10(15)13-11(12-9)8-4-5-14-7-8/h6,8H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyVOJQREDINZBKFA-UHFFFAOYSA-N
XLogP2.60
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.60
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-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475092
6-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106481316
2-[2-(2,2-difluoroethoxy)ethyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481317
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 113838940
2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475078
2-(oxolan-2-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475110
2-(2-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475178
2-(oxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475198
2-(oxan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475199
2-(2-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475241
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
2-(oxolan-3-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475299

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475235) is 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCOC2)[nH]1.
What is the InChIKey of 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is VOJQREDINZBKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-3-9-6-10(15)13-11(12-9)8-4-5-14-7-8/h6,8H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).