2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione

C15H19N3S — CID 106520450

IUPAC2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1cncc(-c2[nH]c(C(C)(C)C)nc(=S)c2C)c1
InChIInChI=1S/C15H19N3S/c1-9-6-11(8-16-7-9)12-10(2)13(19)18-14(17-12)15(3,4)5/h6-8H,1-5H3,(H,17,18,19)
InChIKeyOYNDXOGGYAQJSW-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.12
Rot. Bonds1

About 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione

2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106520450) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106520450
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESCc1cncc(-c2[nH]c(C(C)(C)C)nc(=S)c2C)c1
InChIInChI=1S/C15H19N3S/c1-9-6-11(8-16-7-9)12-10(2)13(19)18-14(17-12)15(3,4)5/h6-8H,1-5H3,(H,17,18,19)
InChIKeyOYNDXOGGYAQJSW-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.12
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

2-tert-butyl-5-methyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515339
2-tert-butyl-6-(3,5-dichlorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106522652
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106516502
2-tert-butyl-6-(3-ethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106519370
2-tert-butyl-6-(3-fluoro-4-pyridinyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521615
2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-1H-pyrimidine-4-thione
CID 114223547
2-tert-butyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106514957
2-tert-butyl-6-(2,4-difluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106517009
2-tert-butyl-6-(2-chloro-5-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106523019
6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776967
2-(2-methoxypropan-2-yl)-5-methyl-6-phenyl-1H-pyrimidine-4-thione
CID 106482330
2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520464

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione (CID 106520450) is 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione is Cc1cncc(-c2[nH]c(C(C)(C)C)nc(=S)c2C)c1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is OYNDXOGGYAQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-9-6-11(8-16-7-9)12-10(2)13(19)18-14(17-12)15(3,4)5/h6-8H,1-5H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione?
2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 273.40 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).