6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione

C14H16N2OS — CID 106517107

IUPAC6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
SMILESCCOc1ccccc1-c1[nH]c(C)nc(=S)c1C
InChIInChI=1S/C14H16N2OS/c1-4-17-12-8-6-5-7-11(12)13-9(2)14(18)16-10(3)15-13/h5-8H,4H2,1-3H3,(H,15,16,18)
InChIKeyYUOBBVSOKINNAB-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.82
Rot. Bonds3

About 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione

6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106517107) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
PubChem CID106517107
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
SMILESCCOc1ccccc1-c1[nH]c(C)nc(=S)c1C
InChIInChI=1S/C14H16N2OS/c1-4-17-12-8-6-5-7-11(12)13-9(2)14(18)16-10(3)15-13/h5-8H,4H2,1-3H3,(H,15,16,18)
InChIKeyYUOBBVSOKINNAB-UHFFFAOYSA-N
XLogP3.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-diethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106515166
6-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione
CID 106520559
2,5-dimethyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 106517813
methyl 2-(2-ethoxyphenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 28556320
5-(2-ethoxyphenyl)-4-methyl-1H-pyrazole
CID 70801967
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)-1H-pyrimidine-4-thione
CID 106519290
2,5-dimethyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518953
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
6-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106520553
methyl 5-(2-ethoxyphenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 53271142
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509
4-(2-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082547

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione (CID 106517107) is 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione is CCOc1ccccc1-c1[nH]c(C)nc(=S)c1C.
What is the InChIKey of 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is YUOBBVSOKINNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-17-12-8-6-5-7-11(12)13-9(2)14(18)16-10(3)15-13/h5-8H,4H2,1-3H3,(H,15,16,18).
What are the key properties of 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione?
6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 260.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-2,5-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).