6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione

C14H24N2OS — CID 106475978

IUPAC6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione
SMILESCCCC(OCC)c1nc(=S)cc(C(C)(C)C)[nH]1
InChIInChI=1S/C14H24N2OS/c1-6-8-10(17-7-2)13-15-11(14(3,4)5)9-12(18)16-13/h9-10H,6-8H2,1-5H3,(H,15,16,18)
InChIKeyIDSRKULOOJNOQZ-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.31
Rot. Bonds5

About 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione

6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione (PubChem CID 106475978) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione
PubChem CID106475978
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione
SMILESCCCC(OCC)c1nc(=S)cc(C(C)(C)C)[nH]1
InChIInChI=1S/C14H24N2OS/c1-6-8-10(17-7-2)13-15-11(14(3,4)5)9-12(18)16-13/h9-10H,6-8H2,1-5H3,(H,15,16,18)
InChIKeyIDSRKULOOJNOQZ-UHFFFAOYSA-N
XLogP4.31
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(1-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175
2-(2-ethoxypropan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475180
2-(ethoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475203
2-(2-methoxypropan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475205

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione (CID 106475978) is 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione is CCCC(OCC)c1nc(=S)cc(C(C)(C)C)[nH]1.
What is the InChIKey of 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione?
The InChIKey is IDSRKULOOJNOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-6-8-10(17-7-2)13-15-11(14(3,4)5)9-12(18)16-13/h9-10H,6-8H2,1-5H3,(H,15,16,18).
What are the key properties of 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione?
6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione has a molecular weight of 268.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-ethoxybutyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).