6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione

C15H18N2O2S — CID 106522297

IUPAC6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(-c2c(OC)cccc2OC)[nH]1
InChIInChI=1S/C15H18N2O2S/c1-4-6-13-16-10(9-14(20)17-13)15-11(18-2)7-5-8-12(15)19-3/h5,7-9H,4,6H2,1-3H3,(H,16,17,20)
InChIKeyDORDECVNLYHGAI-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.78
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione

6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione (PubChem CID 106522297) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
PubChem CID106522297
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)cc(-c2c(OC)cccc2OC)[nH]1
InChIInChI=1S/C15H18N2O2S/c1-4-6-13-16-10(9-14(20)17-13)15-11(18-2)7-5-8-12(15)19-3/h5,7-9H,4,6H2,1-3H3,(H,16,17,20)
InChIKeyDORDECVNLYHGAI-UHFFFAOYSA-N
XLogP3.78
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione (CID 106522297) is 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione is CCCc1nc(=S)cc(-c2c(OC)cccc2OC)[nH]1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione?
The InChIKey is DORDECVNLYHGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-6-13-16-10(9-14(20)17-13)15-11(18-2)7-5-8-12(15)19-3/h5,7-9H,4,6H2,1-3H3,(H,16,17,20).
What are the key properties of 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione?
6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione has a molecular weight of 290.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-2-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106522297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).