2-(1-ethoxybutyl)-1H-pyrimidine-6-thione

C10H16N2OS — CID 106476494

IUPAC2-(1-ethoxybutyl)-1H-pyrimidine-6-thione
SMILESCCCC(OCC)c1nccc(=S)[nH]1
InChIInChI=1S/C10H16N2OS/c1-3-5-8(13-4-2)10-11-7-6-9(14)12-10/h6-8H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyMHNHWHZPQYRZBN-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.02
Rot. Bonds5

About 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione

2-(1-ethoxybutyl)-1H-pyrimidine-6-thione (PubChem CID 106476494) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-1H-pyrimidine-6-thione
PubChem CID106476494
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1-ethoxybutyl)-1H-pyrimidine-6-thione
SMILESCCCC(OCC)c1nccc(=S)[nH]1
InChIInChI=1S/C10H16N2OS/c1-3-5-8(13-4-2)10-11-7-6-9(14)12-10/h6-8H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyMHNHWHZPQYRZBN-UHFFFAOYSA-N
XLogP3.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.02
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-(1-ethoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475724
2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione
CID 106476313
2-(propoxymethyl)-1H-pyrimidine-6-thione
CID 106476335
2-(2-ethoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476356
2-(3-methoxypentan-3-yl)-1H-pyrimidine-6-thione
CID 106476357
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidine-6-thione
CID 106476372
2-(1-ethoxyethyl)-1H-pyrimidine-6-thione
CID 106476399
2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
CID 106476411
2-(1-methoxybutyl)-1H-pyrimidine-6-thione
CID 106476414
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidine-6-thione
CID 106476415
2-(3-ethoxypentan-3-yl)-1H-pyrimidine-6-thione
CID 106476448
2-(1-methoxycyclobutyl)-1H-pyrimidine-6-thione
CID 106476449

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione (CID 106476494) is 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione is CCCC(OCC)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione?
The InChIKey is MHNHWHZPQYRZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-5-8(13-4-2)10-11-7-6-9(14)12-10/h6-8H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione?
2-(1-ethoxybutyl)-1H-pyrimidine-6-thione has a molecular weight of 212.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).