4-ethyl-2,6-dimethylpyrimidine-5-thiol

C8H12N2S — CID 142891599

IUPAC4-ethyl-2,6-dimethylpyrimidine-5-thiol
SMILESCCc1nc(C)nc(C)c1S
InChIInChI=1S/C8H12N2S/c1-4-7-8(11)5(2)9-6(3)10-7/h11H,4H2,1-3H3
InChIKeyFJKUNHDERBFBFE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.94
Rot. Bonds1

About 4-ethyl-2,6-dimethylpyrimidine-5-thiol

4-ethyl-2,6-dimethylpyrimidine-5-thiol (PubChem CID 142891599) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethylpyrimidine-5-thiol.

Molecular Properties

Compound Name4-ethyl-2,6-dimethylpyrimidine-5-thiol
PubChem CID142891599
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-ethyl-2,6-dimethylpyrimidine-5-thiol
SMILESCCc1nc(C)nc(C)c1S
InChIInChI=1S/C8H12N2S/c1-4-7-8(11)5(2)9-6(3)10-7/h11H,4H2,1-3H3
InChIKeyFJKUNHDERBFBFE-UHFFFAOYSA-N
XLogP1.94
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine
CID 170731703
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909
6-ethyl-5-iodo-N,2-dimethylpyrimidin-4-amine
CID 66300257
5-chloro-4-ethyl-6-(isocyanomethyl)-2-methylpyrimidine
CID 83484731
4-ethyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83845774
4-ethyl-2,5-dimethyl-6-propan-2-yloxypyrimidine
CID 91161320
5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245
N-[2-(4,6-diethyl-2-methylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79219467
4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol
CID 87839524
(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine
CID 82408365
6-ethyl-2-methyl-7H-purine
CID 176927465
2,4-diethyl-3,5,6-trimethylpyridine
CID 59964349

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethylpyrimidine-5-thiol?
The IUPAC name of 4-ethyl-2,6-dimethylpyrimidine-5-thiol (CID 142891599) is 4-ethyl-2,6-dimethylpyrimidine-5-thiol.
What is the SMILES notation for 4-ethyl-2,6-dimethylpyrimidine-5-thiol?
The canonical SMILES for 4-ethyl-2,6-dimethylpyrimidine-5-thiol is CCc1nc(C)nc(C)c1S.
What is the InChIKey of 4-ethyl-2,6-dimethylpyrimidine-5-thiol?
The InChIKey is FJKUNHDERBFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-7-8(11)5(2)9-6(3)10-7/h11H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,6-dimethylpyrimidine-5-thiol?
4-ethyl-2,6-dimethylpyrimidine-5-thiol has a molecular weight of 168.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethylpyrimidine-5-thiol is sourced from PubChem (CID 142891599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).