6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione

C11H17N3OS — CID 106476209

IUPAC6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CN(C)CCO2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-3-8-6-10(16)13-11(12-8)9-7-14(2)4-5-15-9/h6,9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyMVVPGQRBLLFJCD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.70
Rot. Bonds2

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

6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476209) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476209
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CN(C)CCO2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-3-8-6-10(16)13-11(12-8)9-7-14(2)4-5-15-9/h6,9H,3-5,7H2,1-2H3,(H,12,13,16)
InChIKeyMVVPGQRBLLFJCD-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476289
6-ethyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
CID 106476255
5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481184
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
2-(4-methylmorpholin-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478746
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79077775
6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479746
2-(azepan-1-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476080
5-(methylaminomethyl)-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 114206196
4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79089338

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106476209) is 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CN(C)CCO2)[nH]1.
What is the InChIKey of 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is MVVPGQRBLLFJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-8-6-10(16)13-11(12-8)9-7-14(2)4-5-15-9/h6,9H,3-5,7H2,1-2H3,(H,12,13,16).
What are the key properties of 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).