2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

C13H20N2O2S — CID 106477750

IUPAC2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(COC)[nH]2)CCCC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(6-4-5-7-13)12-14-10(9-16-2)8-11(18)15-12/h8H,3-7,9H2,1-2H3,(H,14,15,18)
InChIKeyBQFQKRHLXSACGY-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.09
Rot. Bonds5

About 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477750) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477750
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)cc(COC)[nH]2)CCCC1
InChIInChI=1S/C13H20N2O2S/c1-3-17-13(6-4-5-7-13)12-14-10(9-16-2)8-11(18)15-12/h8H,3-7,9H2,1-2H3,(H,14,15,18)
InChIKeyBQFQKRHLXSACGY-UHFFFAOYSA-N
XLogP3.09
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218
2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475574
6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475594
2-(1-ethoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475723
6-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
CID 106475758
6-tert-butyl-2-(1-ethoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106475977
6-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106476075
2-(1-ethoxycyclopentyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476221
2-(1-ethoxycyclopentyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476746
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
6-(methoxymethyl)-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidine-4-thione
CID 106477603
2-(1-methoxycycloheptyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477604

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477750) is 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)cc(COC)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is BQFQKRHLXSACGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-17-13(6-4-5-7-13)12-14-10(9-16-2)8-11(18)15-12/h8H,3-7,9H2,1-2H3,(H,14,15,18).
What are the key properties of 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 268.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).