5-ethyl-6-methyl-1H-pyrimidine-4-thione

C7H10N2S — CID 94076921

IUPAC5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]cnc1=S
InChIInChI=1S/C7H10N2S/c1-3-6-5(2)8-4-9-7(6)10/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyYCKPVPAAHAHAQK-UHFFFAOYSA-N
MW154.24 g/mol
LogP2.01
Rot. Bonds1

About 5-ethyl-6-methyl-1H-pyrimidine-4-thione

5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 94076921) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID94076921
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]cnc1=S
InChIInChI=1S/C7H10N2S/c1-3-6-5(2)8-4-9-7(6)10/h4H,3H2,1-2H3,(H,8,9,10)
InChIKeyYCKPVPAAHAHAQK-UHFFFAOYSA-N
XLogP2.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-6-methyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5-ethyl-6-methylpyrimidine-4-thiol
CID 728853
6-Ethyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 25197221
5-Fluoro-6-propyl-3,4-dihydropyrimidine-4-thione
CID 168016916
5-Fluoro-6-(propan-2-yl)-3,4-dihydropyrimidine-4-thione
CID 168016926
5-Fluoro-6-(2-methylpropyl)-3,4-dihydropyrimidine-4-thione
CID 168017065
6-(Butan-2-yl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017484
1,5,6,7-Tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 1408783
5-chloro-6-propan-2-yl-1H-pyrimidine-4-thione
CID 18700285
2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071758
6-Propylpyrimidine-4-thiol
CID 52004866
6-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 94076921) is 5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]cnc1=S.
What is the InChIKey of 5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is YCKPVPAAHAHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-6-5(2)8-4-9-7(6)10/h4H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 5-ethyl-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 154.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94076921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).