6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione

C12H18N2OS — CID 106478434

IUPAC6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
SMILESCCOC(CC)c1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-3-10(15-4-2)12-13-9(8-5-6-8)7-11(16)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyRBZHZWXKLRRFMY-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.50
Rot. Bonds5

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

6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione (PubChem CID 106478434) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
PubChem CID106478434
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione
SMILESCCOC(CC)c1nc(=S)cc(C2CC2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-3-10(15-4-2)12-13-9(8-5-6-8)7-11(16)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyRBZHZWXKLRRFMY-UHFFFAOYSA-N
XLogP3.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione (CID 106478434) is 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione is CCOC(CC)c1nc(=S)cc(C2CC2)[nH]1.
What is the InChIKey of 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione?
The InChIKey is RBZHZWXKLRRFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-10(15-4-2)12-13-9(8-5-6-8)7-11(16)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1-ethoxypropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).