2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione

C11H17N3OS — CID 106475754

IUPAC2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)cc(C)[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-3-14-4-5-15-9(7-14)11-12-8(2)6-10(16)13-11/h6,9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyLWLFIWJDUWSHID-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.84
Rot. Bonds2

About 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione

2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475754) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475754
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)cc(C)[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-3-14-4-5-15-9(7-14)11-12-8(2)6-10(16)13-11/h6,9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyLWLFIWJDUWSHID-UHFFFAOYSA-N
XLogP1.84
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione (CID 106475754) is 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione is CCN1CCOC(c2nc(=S)cc(C)[nH]2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is LWLFIWJDUWSHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-14-4-5-15-9(7-14)11-12-8(2)6-10(16)13-11/h6,9H,3-5,7H2,1-2H3,(H,12,13,16).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).