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

C15H25N3OS — CID 106475817

IUPAC6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C15H25N3OS/c1-5-6-18-7-8-19-11(10-18)14-16-12(15(2,3)4)9-13(20)17-14/h9,11H,5-8,10H2,1-4H3,(H,16,17,20)
InChIKeyXGSJTNNXQDACAF-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.22
Rot. Bonds3

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

6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475817) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475817
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C15H25N3OS/c1-5-6-18-7-8-19-11(10-18)14-16-12(15(2,3)4)9-13(20)17-14/h9,11H,5-8,10H2,1-4H3,(H,16,17,20)
InChIKeyXGSJTNNXQDACAF-UHFFFAOYSA-N
XLogP3.22
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.22
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

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475314
2-(1-ethoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475387
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475457
6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475541
6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475565
6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475710
2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475754
6-tert-butyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475835
6-tert-butyl-2-(1-ethoxyethyl)-1H-pyrimidine-4-thione
CID 106475891

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106475817) is 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)cc(C(C)(C)C)[nH]2)C1.
What is the InChIKey of 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is XGSJTNNXQDACAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-5-6-18-7-8-19-11(10-18)14-16-12(15(2,3)4)9-13(20)17-14/h9,11H,5-8,10H2,1-4H3,(H,16,17,20).
What are the key properties of 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 295.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).