5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione

C13H20N2O2S — CID 106476882

IUPAC5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2(OC)CCOCC2)nc1=S
InChIInChI=1S/C13H20N2O2S/c1-4-10-9(2)14-12(15-11(10)18)13(16-3)5-7-17-8-6-13/h4-8H2,1-3H3,(H,14,15,18)
InChIKeyVPMDOWGKIVIASC-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.66
Rot. Bonds3

About 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione

5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476882) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476882
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2(OC)CCOCC2)nc1=S
InChIInChI=1S/C13H20N2O2S/c1-4-10-9(2)14-12(15-11(10)18)13(16-3)5-7-17-8-6-13/h4-8H2,1-3H3,(H,14,15,18)
InChIKeyVPMDOWGKIVIASC-UHFFFAOYSA-N
XLogP2.66
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.66
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-(4-methoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475102
2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475215
2-(4-methoxyoxan-4-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475358
2-(4-ethoxyoxan-4-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475469
2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475618
2-(4-ethoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475720
6-tert-butyl-2-(4-methoxyoxan-4-yl)-1H-pyrimidine-4-thione
CID 106475864
6-tert-butyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidine-4-thione
CID 106475975
2-(4-methoxyoxan-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476640
2-(3-ethoxypentan-3-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476707
2-(4-ethoxyoxan-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476743
5-ethyl-6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476858

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione (CID 106476882) is 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2(OC)CCOCC2)nc1=S.
What is the InChIKey of 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is VPMDOWGKIVIASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-10-9(2)14-12(15-11(10)18)13(16-3)5-7-17-8-6-13/h4-8H2,1-3H3,(H,14,15,18).
What are the key properties of 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 268.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methoxyoxan-4-yl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).