2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione

C11H12N2OS2 — CID 106518568

IUPAC2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2csc(C)c2)[nH]1
InChIInChI=1S/C11H12N2OS2/c1-7-3-8(6-16-7)9-4-11(15)13-10(12-9)5-14-2/h3-4,6H,5H2,1-2H3,(H,12,13,15)
InChIKeyMUSXLYPMGPOACC-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.32
Rot. Bonds3

About 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione

2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106518568) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
PubChem CID106518568
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(-c2csc(C)c2)[nH]1
InChIInChI=1S/C11H12N2OS2/c1-7-3-8(6-16-7)9-4-11(15)13-10(12-9)5-14-2/h3-4,6H,5H2,1-2H3,(H,12,13,15)
InChIKeyMUSXLYPMGPOACC-UHFFFAOYSA-N
XLogP3.32
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.32
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

6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
2-(methoxymethyl)-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520354
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818
2-(methoxymethyl)-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519589
2-(methoxymethyl)-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514496
6-(3-ethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106519411
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515269
2-(methoxymethyl)-6-(3-nitrophenyl)-1H-pyrimidine-4-thione
CID 106515751
6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
6-(3,5-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106519204
6-(3-chloro-4-fluorophenyl)-2-(ethoxymethyl)-1H-pyrimidine-4-thione
CID 106521030

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione (CID 106518568) is 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(-c2csc(C)c2)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is MUSXLYPMGPOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7-3-8(6-16-7)9-4-11(15)13-10(12-9)5-14-2/h3-4,6H,5H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 252.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).