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

C14H23N3OS — CID 106476010

IUPAC6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)cc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C14H23N3OS/c1-5-17-6-7-18-10(9-17)13-15-11(14(2,3)4)8-12(19)16-13/h8,10H,5-7,9H2,1-4H3,(H,15,16,19)
InChIKeyCTXLWVLVTSQUIW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.83
Rot. Bonds2

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

6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476010) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476010
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)cc(C(C)(C)C)[nH]2)C1
InChIInChI=1S/C14H23N3OS/c1-5-17-6-7-18-10(9-17)13-15-11(14(2,3)4)8-12(19)16-13/h8,10H,5-7,9H2,1-4H3,(H,15,16,19)
InChIKeyCTXLWVLVTSQUIW-UHFFFAOYSA-N
XLogP2.83
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.83
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-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475817
6-tert-butyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475835

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106476010) is 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCN1CCOC(c2nc(=S)cc(C(C)(C)C)[nH]2)C1.
What is the InChIKey of 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is CTXLWVLVTSQUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-17-6-7-18-10(9-17)13-15-11(14(2,3)4)8-12(19)16-13/h8,10H,5-7,9H2,1-4H3,(H,15,16,19).
What are the key properties of 6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 281.42 g/mol, XLogP of 2.83, 2 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-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).