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

C11H16N2OS — CID 106475529

IUPAC2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-7(2)8-6-10(15)13-11(12-8)9-4-3-5-14-9/h6-7,9H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyFQYLDJXFFUYULW-UHFFFAOYSA-N
MW224.33 g/mol
LogP3.11
Rot. Bonds2

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

2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475529) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475529
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-7(2)8-6-10(15)13-11(12-8)9-4-3-5-14-9/h6-7,9H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyFQYLDJXFFUYULW-UHFFFAOYSA-N
XLogP3.11
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(oxolan-2-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475110
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-methoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475217
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219
2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475256
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
2-(oxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475278
2-(oxolan-3-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475299
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475349

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475529) is 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(C2CCCO2)[nH]1.
What is the InChIKey of 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is FQYLDJXFFUYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7(2)8-6-10(15)13-11(12-8)9-4-3-5-14-9/h6-7,9H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).