5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione

C11H11N3O2S — CID 114055039

IUPAC5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione
SMILESCOc1cccnc1-c1[nH]cnc(=S)c1OC
InChIInChI=1S/C11H11N3O2S/c1-15-7-4-3-5-12-8(7)9-10(16-2)11(17)14-6-13-9/h3-6H,1-2H3,(H,13,14,17)
InChIKeyRUBBECWEJABFOR-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.22
Rot. Bonds3

About 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione

5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 114055039) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID114055039
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione
SMILESCOc1cccnc1-c1[nH]cnc(=S)c1OC
InChIInChI=1S/C11H11N3O2S/c1-15-7-4-3-5-12-8(7)9-10(16-2)11(17)14-6-13-9/h3-6H,1-2H3,(H,13,14,17)
InChIKeyRUBBECWEJABFOR-UHFFFAOYSA-N
XLogP2.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521547
6-[4-(difluoromethylsulfanyl)phenyl]-5-methoxy-1H-pyrimidine-4-thione
CID 106515020
5-methoxy-6-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106514628
5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
CID 106518594
6-(3-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidine-4-thione
CID 107362481
1H-pyrido[2,3-d]pyrimidine-4-thione
CID 5382377
6-(2-cyclobutylphenyl)-5-methoxy-1H-pyrimidine-4-thione
CID 106522327
3-(3-methoxy-2-pyridinyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 114055040
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
3-fluoro-2-(2,3,4-trimethoxyphenyl)pyridine
CID 72878794
4-methoxy-5-(3-methoxy-2-pyridinyl)pyrimidine
CID 173069902

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione (CID 114055039) is 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione is COc1cccnc1-c1[nH]cnc(=S)c1OC.
What is the InChIKey of 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is RUBBECWEJABFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-15-7-4-3-5-12-8(7)9-10(16-2)11(17)14-6-13-9/h3-6H,1-2H3,(H,13,14,17).
What are the key properties of 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione?
5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 249.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(3-methoxy-2-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 114055039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).