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

C13H15N3S — CID 106521422

IUPAC2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2ccnc(C)c2)[nH]1
InChIInChI=1S/C13H15N3S/c1-4-11-15-12(9(3)13(17)16-11)10-5-6-14-8(2)7-10/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyFWUADGXMJSEWJJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.38
Rot. Bonds2

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

2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106521422) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106521422
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)c(C)c(-c2ccnc(C)c2)[nH]1
InChIInChI=1S/C13H15N3S/c1-4-11-15-12(9(3)13(17)16-11)10-5-6-14-8(2)7-10/h5-7H,4H2,1-3H3,(H,15,16,17)
InChIKeyFWUADGXMJSEWJJ-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.38
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-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
2-ethyl-5-methyl-6-(3,4,5-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106515648
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516662
6-(3,5-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106519169
6-(4-chloro-3-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106518971
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
2-ethyl-6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106514948
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
6-(2,6-dimethoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522257
6-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106514723
2-ethyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106523150

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione (CID 106521422) is 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione is CCc1nc(=S)c(C)c(-c2ccnc(C)c2)[nH]1.
What is the InChIKey of 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is FWUADGXMJSEWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-4-11-15-12(9(3)13(17)16-11)10-5-6-14-8(2)7-10/h5-7H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione?
2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 245.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106521422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).