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

C11H16N2OS2 — CID 106477031

IUPAC5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CSCCO2)nc1=S
InChIInChI=1S/C11H16N2OS2/c1-3-8-7(2)12-10(13-11(8)15)9-6-16-5-4-14-9/h9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyJQKGHHDHUNZLLE-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.81
Rot. Bonds2

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

5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106477031) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
PubChem CID106477031
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CSCCO2)nc1=S
InChIInChI=1S/C11H16N2OS2/c1-3-8-7(2)12-10(13-11(8)15)9-6-16-5-4-14-9/h9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyJQKGHHDHUNZLLE-UHFFFAOYSA-N
XLogP2.81
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.81
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-(1,4-oxathian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475253
2-(1,4-oxathian-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475507
6-tert-butyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
CID 106476012
6-ethyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
CID 106476255
5,6-dimethyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
CID 106476779
2-(1-ethoxyethyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476912
2-(1-ethoxypropyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476923
5-ethyl-2-(1-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476987
5-ethyl-2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476994
2-(1-ethoxy-2-methylpropyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106477037
2-(1,4-Oxathian-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477539
2-(1-ethoxyethyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477918

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione (CID 106477031) is 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CSCCO2)nc1=S.
What is the InChIKey of 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is JQKGHHDHUNZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-3-8-7(2)12-10(13-11(8)15)9-6-16-5-4-14-9/h9H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 256.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).