6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione

C11H16N2OS — CID 106478272

IUPAC6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CCOC2)nc(=S)c1C
InChIInChI=1S/C11H16N2OS/c1-3-9-7(2)11(15)13-10(12-9)8-4-5-14-6-8/h8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyWPGAOJBRUMNPRG-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.51
Rot. Bonds2

About 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione

6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106478272) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
PubChem CID106478272
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CCOC2)nc(=S)c1C
InChIInChI=1S/C11H16N2OS/c1-3-9-7(2)11(15)13-10(12-9)8-4-5-14-6-8/h8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyWPGAOJBRUMNPRG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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]-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476869
6-methyl-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106477880
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477881
2-(oxolan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475235
2-(3-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475333
2-(oxolan-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475489
6-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106475741
6-tert-butyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106475995
6-ethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106476239
5,6-dimethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106476762
5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476852
5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106476887

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione (CID 106478272) is 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is CCc1[nH]c(C2CCOC2)nc(=S)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is WPGAOJBRUMNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-9-7(2)11(15)13-10(12-9)8-4-5-14-6-8/h8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).