6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione

C11H16N2O2S — CID 106477731

IUPAC6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCOCC2)[nH]1
InChIInChI=1S/C11H16N2O2S/c1-14-7-9-6-10(16)13-11(12-9)8-2-4-15-5-3-8/h6,8H,2-5,7H2,1H3,(H,12,13,16)
InChIKeySOVQQCBWCCSKTL-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.18
Rot. Bonds3

About 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106477731) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione
PubChem CID106477731
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CCOCC2)[nH]1
InChIInChI=1S/C11H16N2O2S/c1-14-7-9-6-10(16)13-11(12-9)8-2-4-15-5-3-8/h6,8H,2-5,7H2,1H3,(H,12,13,16)
InChIKeySOVQQCBWCCSKTL-UHFFFAOYSA-N
XLogP2.18
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475618
6-methyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106475705
2-(4-ethoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475720
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
6-(methoxymethyl)-2-(3-methylbutyl)-1H-pyrimidine-4-thione
CID 106477611
6-(methoxymethyl)-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106477616
6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106477622
6-(methoxymethyl)-2-(3-methoxypentan-3-yl)-1H-pyrimidine-4-thione
CID 106477629
6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione
CID 106477641
2-[cyclopropyl(methoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477643
2-cyclohexyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477685
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477709

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione (CID 106477731) is 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CCOCC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is SOVQQCBWCCSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-14-7-9-6-10(16)13-11(12-9)8-2-4-15-5-3-8/h6,8H,2-5,7H2,1H3,(H,12,13,16).
What are the key properties of 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 240.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(oxan-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).