6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione

C10H14N2OS — CID 106475626

IUPAC6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CC2CCCO2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-7-5-10(14)12-9(11-7)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyQJWXQUFAQJUOEF-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.17
Rot. Bonds2

About 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione

6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione (PubChem CID 106475626) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
PubChem CID106475626
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CC2CCCO2)[nH]1
InChIInChI=1S/C10H14N2OS/c1-7-5-10(14)12-9(11-7)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3,(H,11,12,14)
InChIKeyQJWXQUFAQJUOEF-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-(oxolan-2-ylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475367
6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106475573
2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475687
6-methyl-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 106475781
6-tert-butyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106475872
6-ethyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476074
6-ethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476128
5,6-dimethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476650
5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476892
6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106477649
6-ethyl-5-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106478150

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione (CID 106475626) is 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CC2CCCO2)[nH]1.
What is the InChIKey of 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione?
The InChIKey is QJWXQUFAQJUOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7-5-10(14)12-9(11-7)6-8-3-2-4-13-8/h5,8H,2-4,6H2,1H3,(H,11,12,14).
What are the key properties of 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione?
6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione has a molecular weight of 210.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).