6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione

C14H16N2O2S — CID 106514276

IUPAC6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOc1ccc(-c2cc(=S)nc(COC)[nH]2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-11-6-4-10(5-7-11)12-8-14(19)16-13(15-12)9-17-2/h4-8H,3,9H2,1-2H3,(H,15,16,19)
InChIKeyUPLROMFDGMRXNC-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.35
Rot. Bonds5

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

6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106514276) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106514276
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOc1ccc(-c2cc(=S)nc(COC)[nH]2)cc1
InChIInChI=1S/C14H16N2O2S/c1-3-18-11-6-4-10(5-7-11)12-8-14(19)16-13(15-12)9-17-2/h4-8H,3,9H2,1-2H3,(H,15,16,19)
InChIKeyUPLROMFDGMRXNC-UHFFFAOYSA-N
XLogP3.35
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.35
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-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869
2-(methoxymethyl)-6-(5-methylthiophen-3-yl)-1H-pyrimidine-4-thione
CID 106518568
6-(3-ethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106519411
2-(methoxymethyl)-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519589
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818
4-ethoxy-6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 24976004
6-(3-chloro-4-fluorophenyl)-2-(ethoxymethyl)-1H-pyrimidine-4-thione
CID 106521030
6-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106523194
5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine
CID 50980448
2-(methoxymethyl)-6-[(4-methoxyphenyl)methylamino]-1H-pyrimidine-4-thione
CID 82457482
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106514276) is 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione is CCOc1ccc(-c2cc(=S)nc(COC)[nH]2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is UPLROMFDGMRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-18-11-6-4-10(5-7-11)12-8-14(19)16-13(15-12)9-17-2/h4-8H,3,9H2,1-2H3,(H,15,16,19).
What are the key properties of 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione?
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 276.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106514276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).