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

C9H14N2S — CID 106517866

IUPAC5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCc1c(C(C)C)[nH]cnc1=S
InChIInChI=1S/C9H14N2S/c1-4-7-8(6(2)3)10-5-11-9(7)12/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyALZOKSCUBSSMSA-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.82
Rot. Bonds2

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

5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106517866) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106517866
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCc1c(C(C)C)[nH]cnc1=S
InChIInChI=1S/C9H14N2S/c1-4-7-8(6(2)3)10-5-11-9(7)12/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyALZOKSCUBSSMSA-UHFFFAOYSA-N
XLogP2.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.82
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

5-Fluoro-6-propyl-3,4-dihydropyrimidine-4-thione
CID 168016916
5-Fluoro-6-(propan-2-yl)-3,4-dihydropyrimidine-4-thione
CID 168016926
6-Butyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168016968
5-Fluoro-6-(2-methylpropyl)-3,4-dihydropyrimidine-4-thione
CID 168017065
6-(2,2-Dimethylpropyl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017360
5-Fluoro-6-(pentan-3-yl)-3,4-dihydropyrimidine-4-thione
CID 168017391
6-(Butan-2-yl)-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017484
6-Tert-butyl-5-fluoro-3,4-dihydropyrimidine-4-thione
CID 168017627
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-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
6-(Propan-2-yl)pyrimidine-4-thiol
CID 61240348

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106517866) is 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione is CCc1c(C(C)C)[nH]cnc1=S.
What is the InChIKey of 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is ALZOKSCUBSSMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-4-7-8(6(2)3)10-5-11-9(7)12/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione?
5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 182.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).