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

C12H18N2O3S — CID 106477641

IUPAC6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2(OC)CCOCC2)[nH]1
InChIInChI=1S/C12H18N2O3S/c1-15-8-9-7-10(18)14-11(13-9)12(16-2)3-5-17-6-4-12/h7H,3-6,8H2,1-2H3,(H,13,14,18)
InChIKeyHAHZHYSLWDGLPW-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.94
Rot. Bonds4

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

6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106477641) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione
PubChem CID106477641
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2(OC)CCOCC2)[nH]1
InChIInChI=1S/C12H18N2O3S/c1-15-8-9-7-10(18)14-11(13-9)12(16-2)3-5-17-6-4-12/h7H,3-6,8H2,1-2H3,(H,13,14,18)
InChIKeyHAHZHYSLWDGLPW-UHFFFAOYSA-N
XLogP1.94
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475102
2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475215
2-(4-methoxyoxan-4-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475358
2-(4-ethoxyoxan-4-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475469
2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475618
2-(3-ethoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475683
2-(4-ethoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475720
6-tert-butyl-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione
CID 106475864
6-tert-butyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidine-4-thione
CID 106475975
2-(4-methoxyoxan-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476640
2-(4-ethoxyoxan-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476743
6-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106477622

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione (CID 106477641) is 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2(OC)CCOCC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is HAHZHYSLWDGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-15-8-9-7-10(18)14-11(13-9)12(16-2)3-5-17-6-4-12/h7H,3-6,8H2,1-2H3,(H,13,14,18).
What are the key properties of 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 270.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).