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

C11H16N2OS — CID 106475573

IUPAC6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CC2CCCCO2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-8-6-11(15)13-10(12-8)7-9-4-2-3-5-14-9/h6,9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyAROXYLFINWAOQH-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.56
Rot. Bonds2

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

6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione (PubChem CID 106475573) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
PubChem CID106475573
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CC2CCCCO2)[nH]1
InChIInChI=1S/C11H16N2OS/c1-8-6-11(15)13-10(12-8)7-9-4-2-3-5-14-9/h6,9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyAROXYLFINWAOQH-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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-(oxan-2-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475064
2-(oxolan-2-ylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475110
2-(oxan-2-ylmethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475319
6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106475626
6-tert-butyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106475823
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-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476597
6-(methoxymethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106477601
6-ethyl-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106478102
5-bromo-6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106478994
5-ethyl-6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 113839144

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione (CID 106475573) is 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CC2CCCCO2)[nH]1.
What is the InChIKey of 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione?
The InChIKey is AROXYLFINWAOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-6-11(15)13-10(12-8)7-9-4-2-3-5-14-9/h6,9H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione?
6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).