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

C10H14N2OS — CID 106476239

IUPAC6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-2-8-5-9(14)12-10(11-8)7-3-4-13-6-7/h5,7H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyDENWUNWNZUGDSM-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.21
Rot. Bonds2

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

6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106476239) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
PubChem CID106476239
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CCOC2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-2-8-5-9(14)12-10(11-8)7-3-4-13-6-7/h5,7H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyDENWUNWNZUGDSM-UHFFFAOYSA-N
XLogP2.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.21
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-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475346
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-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475078
2-(oxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475198
2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475235
2-(2-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475241
2-(oxolan-3-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475299
2-(3-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475333
2-(oxolan-2-ylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475367
2-(2-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475431
2-(oxan-4-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475451

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (CID 106476239) is 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CCOC2)[nH]1.
What is the InChIKey of 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is DENWUNWNZUGDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-8-5-9(14)12-10(11-8)7-3-4-13-6-7/h5,7H,2-4,6H2,1H3,(H,11,12,14).
What are the key properties of 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).