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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Related Compounds

6-cyclopropyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidine-4-thione
CID 106478474
6-cyclopentyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106481851
4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one
CID 136983289
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
6-tert-butyl-2-(1-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475976
6-cyclopropyl-2-(1-ethoxypropyl)pyrimidin-4-amine
CID 116729139
2-benzyl-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478384
6-cyclopentyl-2-(methylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106482015
6-cyclopropyl-2-(1H-imidazol-2-yl)-1H-pyrimidine-4-thione
CID 136696572
2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136997545
2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-1H-pyrimidine-4-thione
CID 106478506
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835

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).