6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione

C16H18N2S — CID 106521767

IUPAC6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(-c2ccc(C3CCC3)cc2)[nH]1
InChIInChI=1S/C16H18N2S/c1-2-15-17-14(10-16(19)18-15)13-8-6-12(7-9-13)11-4-3-5-11/h6-11H,2-5H2,1H3,(H,17,18,19)
InChIKeyYELWOJZXUVKCPP-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.64
Rot. Bonds3

About 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione

6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione (PubChem CID 106521767) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
PubChem CID106521767
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(-c2ccc(C3CCC3)cc2)[nH]1
InChIInChI=1S/C16H18N2S/c1-2-15-17-14(10-16(19)18-15)13-8-6-12(7-9-13)11-4-3-5-11/h6-11H,2-5H2,1H3,(H,17,18,19)
InChIKeyYELWOJZXUVKCPP-UHFFFAOYSA-N
XLogP4.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-1H-pyrimidine-4-thione
CID 106515251
2-ethyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515355
2-ethyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 94077043
2-ethyl-6-(2-methylquinolin-6-yl)-1H-pyrimidine-4-thione
CID 106519576
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
6-(4-cyclobutylphenyl)-1H-pyridine-2-thione
CID 106521765
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
2-ethyl-6-(2,4,5-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106518420
2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106515564
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
6-(4-cyclobutylphenyl)-5-fluoro-1H-pyrimidine-2-thione
CID 106521756

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione (CID 106521767) is 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione is CCc1nc(=S)cc(-c2ccc(C3CCC3)cc2)[nH]1.
What is the InChIKey of 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione?
The InChIKey is YELWOJZXUVKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-15-17-14(10-16(19)18-15)13-8-6-12(7-9-13)11-4-3-5-11/h6-11H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione?
6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione has a molecular weight of 270.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106521767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).