2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione

C11H17N3OS — CID 106476313

IUPAC2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione
SMILESCCCN1CCOC(c2nccc(=S)[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-2-5-14-6-7-15-9(8-14)11-12-4-3-10(16)13-11/h3-4,9H,2,5-8H2,1H3,(H,12,13,16)
InChIKeyXMWWJOKFFIVXEH-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.92
Rot. Bonds3

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

2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione (PubChem CID 106476313) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione
PubChem CID106476313
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione
SMILESCCCN1CCOC(c2nccc(=S)[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-2-5-14-6-7-15-9(8-14)11-12-4-3-10(16)13-11/h3-4,9H,2,5-8H2,1H3,(H,12,13,16)
InChIKeyXMWWJOKFFIVXEH-UHFFFAOYSA-N
XLogP1.92
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.92
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-propylmorpholin-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione (CID 106476313) is 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione is CCCN1CCOC(c2nccc(=S)[nH]2)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is XMWWJOKFFIVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-5-14-6-7-15-9(8-14)11-12-4-3-10(16)13-11/h3-4,9H,2,5-8H2,1H3,(H,12,13,16).
What are the key properties of 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione?
2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 239.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).