5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione

C10H16N2S — CID 94077028

IUPAC5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(C)C)nc1=S
InChIInChI=1S/C10H16N2S/c1-5-8-7(4)11-9(6(2)3)12-10(8)13/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyCIJNSUJLPXRUKE-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.13
Rot. Bonds2

About 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione

5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 94077028) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID94077028
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C(C)C)nc1=S
InChIInChI=1S/C10H16N2S/c1-5-8-7(4)11-9(6(2)3)12-10(8)13/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyCIJNSUJLPXRUKE-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.13
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-2-propan-2-yl-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

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-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
2-cyclopropyl-6-ethyl-1H-pyrimidine-4-thione
CID 121602234
6-ethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077023
2,6-Diisopropyl-pyrimidine-4-thiol
CID 94077024
2-propan-2-yl-6-propyl-1H-pyrimidine-4-thione
CID 94077025

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione (CID 94077028) is 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C(C)C)nc1=S.
What is the InChIKey of 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is CIJNSUJLPXRUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-5-8-7(4)11-9(6(2)3)12-10(8)13/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 196.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94077028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).