6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione

C14H16N2O2S — CID 106519161

IUPAC6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
SMILESCCc1c(-c2cc(OC)cc(OC)c2)[nH]cnc1=S
InChIInChI=1S/C14H16N2O2S/c1-4-12-13(15-8-16-14(12)19)9-5-10(17-2)7-11(6-9)18-3/h5-8H,4H2,1-3H3,(H,15,16,19)
InChIKeyWKVJTYTWLHLFII-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.39
Rot. Bonds4

About 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione

6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione (PubChem CID 106519161) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
PubChem CID106519161
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
SMILESCCc1c(-c2cc(OC)cc(OC)c2)[nH]cnc1=S
InChIInChI=1S/C14H16N2O2S/c1-4-12-13(15-8-16-14(12)19)9-5-10(17-2)7-11(6-9)18-3/h5-8H,4H2,1-3H3,(H,15,16,19)
InChIKeyWKVJTYTWLHLFII-UHFFFAOYSA-N
XLogP3.39
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.39
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-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106516821
5-ethyl-6-(4-methylphenyl)-1H-pyrimidine-4-thione
CID 106513870
5-ethyl-6-(furan-2-yl)-1H-pyrimidine-4-thione
CID 106518134
6-(5-chloro-2-methoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106514716
5-ethyl-6-(2-fluoro-4,6-dimethylphenyl)-1H-pyrimidine-4-thione
CID 106884726
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
methyl 3-fluoro-5-(5-propyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzoate
CID 106522919
5-methoxy-6-(5-propoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520720
4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
CID 90115310
5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106513978
6-(3,4-dimethylphenyl)-5-propyl-1H-pyrimidine-4-thione
CID 106516511
5-ethyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
CID 106519661

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione (CID 106519161) is 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione is CCc1c(-c2cc(OC)cc(OC)c2)[nH]cnc1=S.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione?
The InChIKey is WKVJTYTWLHLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-12-13(15-8-16-14(12)19)9-5-10(17-2)7-11(6-9)18-3/h5-8H,4H2,1-3H3,(H,15,16,19).
What are the key properties of 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione?
6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione has a molecular weight of 276.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106519161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).