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

C10H14N2OS — CID 106476277

IUPAC6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-2-7-6-9(14)12-10(11-7)8-4-3-5-13-8/h6,8H,2-5H2,1H3,(H,11,12,14)
InChIKeyLRPQTTRUFWMZEP-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.55
Rot. Bonds2

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

6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476277) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476277
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-2-7-6-9(14)12-10(11-7)8-4-3-5-13-8/h6,8H,2-5H2,1H3,(H,11,12,14)
InChIKeyLRPQTTRUFWMZEP-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-(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-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
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-(oxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475278
2-[cyclopropyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475360
2-(oxolan-2-ylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475367
2-(1-ethoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475398

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (CID 106476277) is 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CCCO2)[nH]1.
What is the InChIKey of 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is LRPQTTRUFWMZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-2-7-6-9(14)12-10(11-7)8-4-3-5-13-8/h6,8H,2-5H2,1H3,(H,11,12,14).
What are the key properties of 6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.55, 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-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).