6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione

C10H15N3OS — CID 106476133

IUPAC6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-2-8-7-9(15)12-10(11-8)13-3-5-14-6-4-13/h7H,2-6H2,1H3,(H,11,12,15)
InChIKeyHNFRXJAKKDUNTJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.54
Rot. Bonds2

About 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione

6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106476133) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
PubChem CID106476133
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-2-8-7-9(15)12-10(11-8)13-3-5-14-6-4-13/h7H,2-6H2,1H3,(H,11,12,15)
InChIKeyHNFRXJAKKDUNTJ-UHFFFAOYSA-N
XLogP1.54
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.54
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

4-(4,6-Dimethyl-1,4-dihydropyrimidin-2-yl)morpholine
CID 173125912
6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 17606458
2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475115
2-morpholin-4-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475372
6-tert-butyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106475876
5-ethyl-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476897
6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106477654
6-ethyl-5-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106478155
6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106478410
5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106479306
5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479808
6-methyl-2-morpholin-4-yl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 113839309

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (CID 106476133) is 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is CCc1cc(=S)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is HNFRXJAKKDUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-8-7-9(15)12-10(11-8)13-3-5-14-6-4-13/h7H,2-6H2,1H3,(H,11,12,15).
What are the key properties of 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 225.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).