6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione

C8H12N2S — CID 94077040

IUPAC6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C)nc(=S)c1C
InChIInChI=1S/C8H12N2S/c1-4-7-5(2)8(11)10-6(3)9-7/h4H2,1-3H3,(H,9,10,11)
InChIKeyREFDUSNKVBWNAU-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.32
Rot. Bonds1

About 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione

6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione (PubChem CID 94077040) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione
PubChem CID94077040
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C)nc(=S)c1C
InChIInChI=1S/C8H12N2S/c1-4-7-5(2)8(11)10-6(3)9-7/h4H2,1-3H3,(H,9,10,11)
InChIKeyREFDUSNKVBWNAU-UHFFFAOYSA-N
XLogP2.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 7541200
quinazoline-4(1H)-thione, 5,6,7,8-tetrahydro-2-methyl-
CID 17324452
2,4-Dimethyl-5-allyl-6-mercaptopyrimidine
CID 12860325
5-ethyl-6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106476847
5-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106476876
6-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477861
6-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106478111
6-ethyl-5-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106478136
6-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839304
2,5,6-trimethyl-1H-pyrimidine-4-thione
CID 53976269
2-methyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 94077036
5-methyl-2,6-di(propan-2-yl)-1H-pyrimidine-4-thione
CID 106517865

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione (CID 94077040) is 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione is CCc1[nH]c(C)nc(=S)c1C.
What is the InChIKey of 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is REFDUSNKVBWNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-4-7-5(2)8(11)10-6(3)9-7/h4H2,1-3H3,(H,9,10,11).
What are the key properties of 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione?
6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 168.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94077040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).