5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione

C14H23N3OS — CID 106477067

IUPAC5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CN(C(C)C)CCO2)nc1=S
InChIInChI=1S/C14H23N3OS/c1-5-11-10(4)15-13(16-14(11)19)12-8-17(9(2)3)6-7-18-12/h9,12H,5-8H2,1-4H3,(H,15,16,19)
InChIKeyZOAGQJAFIHXRMP-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.79
Rot. Bonds3

About 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione

5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106477067) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106477067
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CN(C(C)C)CCO2)nc1=S
InChIInChI=1S/C14H23N3OS/c1-5-11-10(4)15-13(16-14(11)19)12-8-17(9(2)3)6-7-18-12/h9,12H,5-8H2,1-4H3,(H,15,16,19)
InChIKeyZOAGQJAFIHXRMP-UHFFFAOYSA-N
XLogP2.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.79
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-(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-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475817
6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476010
6-tert-butyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476046
6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476067
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209
6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476289

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106477067) is 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CN(C(C)C)CCO2)nc1=S.
What is the InChIKey of 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is ZOAGQJAFIHXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-11-10(4)15-13(16-14(11)19)12-8-17(9(2)3)6-7-18-12/h9,12H,5-8H2,1-4H3,(H,15,16,19).
What are the key properties of 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 281.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).