6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione

C12H18N2OS — CID 106478474

IUPAC6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione
SMILESCCOC(C)(C)c1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-4-15-12(2,3)11-13-9(8-5-6-8)7-10(16)14-11/h7-8H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyZBQUOHLKXBSMBH-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.29
Rot. Bonds4

About 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione

6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106478474) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106478474
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione
SMILESCCOC(C)(C)c1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-4-15-12(2,3)11-13-9(8-5-6-8)7-10(16)14-11/h7-8H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyZBQUOHLKXBSMBH-UHFFFAOYSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.29
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

6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
CID 106478434
4-tert-butyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136955140
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
2-benzyl-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478384
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997699
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
6-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106478585
6-cyclopropyl-2-naphthalen-1-yl-1H-pyrimidine-4-thione
CID 106478535
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione (CID 106478474) is 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione is CCOC(C)(C)c1nc(=S)cc(C2CC2)[nH]1.
What is the InChIKey of 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is ZBQUOHLKXBSMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-15-12(2,3)11-13-9(8-5-6-8)7-10(16)14-11/h7-8H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).