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

C12H18N2O2S — CID 106477622

IUPAC6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2(C)CCCCO2)[nH]1
InChIInChI=1S/C12H18N2O2S/c1-12(5-3-4-6-16-12)11-13-9(8-15-2)7-10(17)14-11/h7H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyZFMJPGHNTFRYJG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.70
Rot. Bonds3

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

6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106477622) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106477622
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2(C)CCCCO2)[nH]1
InChIInChI=1S/C12H18N2O2S/c1-12(5-3-4-6-16-12)11-13-9(8-15-2)7-10(17)14-11/h7H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyZFMJPGHNTFRYJG-UHFFFAOYSA-N
XLogP2.70
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.70
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-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
2-(2-methyloxan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475338
6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475594
2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475601
2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475618
2-(4-ethoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475720
2-(1-ethoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475723
6-tert-butyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475845
6-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476097
5,6-dimethyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476621
6-(methoxymethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106477601
6-(methoxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477603

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione (CID 106477622) is 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2(C)CCCCO2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is ZFMJPGHNTFRYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-12(5-3-4-6-16-12)11-13-9(8-15-2)7-10(17)14-11/h7H,3-6,8H2,1-2H3,(H,13,14,17).
What are the key properties of 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 254.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).