6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione

C17H20N2S — CID 106522451

IUPAC6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2cccc(C3CCC3)c2)[nH]1
InChIInChI=1S/C17H20N2S/c1-3-15-18-16(11(2)17(20)19-15)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyUTEOATZNUSVBLV-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.94
Rot. Bonds3

About 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione

6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione (PubChem CID 106522451) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
PubChem CID106522451
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2cccc(C3CCC3)c2)[nH]1
InChIInChI=1S/C17H20N2S/c1-3-15-18-16(11(2)17(20)19-15)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,18,19,20)
InChIKeyUTEOATZNUSVBLV-UHFFFAOYSA-N
XLogP4.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.94
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

2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516662
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
6-(3-ethylphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106519407
5-methyl-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106515365
2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione
CID 106521422
2-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
6-(4-chloro-3-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106518971
2-ethyl-5-methyl-6-(3,4,5-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106515648
3-(3-cyclobutylphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106522502
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
6-(4-cyclobutylphenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106521767
2-(cyclopentylsulfanylmethyl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
CID 106482238

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione (CID 106522451) is 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione is CCc1nc(=S)c(C)c(-c2cccc(C3CCC3)c2)[nH]1.
What is the InChIKey of 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione?
The InChIKey is UTEOATZNUSVBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-15-18-16(11(2)17(20)19-15)14-9-5-8-13(10-14)12-6-4-7-12/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione?
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione has a molecular weight of 284.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106522451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).