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

C10H16N2S — CID 106659519

IUPAC6-butyl-5-ethyl-1H-pyrimidine-4-thione
SMILESCCCCc1[nH]cnc(=S)c1CC
InChIInChI=1S/C10H16N2S/c1-3-5-6-9-8(4-2)10(13)12-7-11-9/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyMWXQEQCTYGOGNZ-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.04
Rot. Bonds4

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

6-butyl-5-ethyl-1H-pyrimidine-4-thione (PubChem CID 106659519) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 6-butyl-5-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-butyl-5-ethyl-1H-pyrimidine-4-thione
PubChem CID106659519
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name6-butyl-5-ethyl-1H-pyrimidine-4-thione
SMILESCCCCc1[nH]cnc(=S)c1CC
InChIInChI=1S/C10H16N2S/c1-3-5-6-9-8(4-2)10(13)12-7-11-9/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyMWXQEQCTYGOGNZ-UHFFFAOYSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-butyl-5-ethyl-1H-pyrimidine-4-thione (CID 106659519) is 6-butyl-5-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-butyl-5-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-butyl-5-ethyl-1H-pyrimidine-4-thione is CCCCc1[nH]cnc(=S)c1CC.
What is the InChIKey of 6-butyl-5-ethyl-1H-pyrimidine-4-thione?
The InChIKey is MWXQEQCTYGOGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-5-6-9-8(4-2)10(13)12-7-11-9/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 6-butyl-5-ethyl-1H-pyrimidine-4-thione?
6-butyl-5-ethyl-1H-pyrimidine-4-thione has a molecular weight of 196.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106659519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).