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

C13H21N3OS — CID 106477029

IUPAC5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CN(CC)CCO2)nc1=S
InChIInChI=1S/C13H21N3OS/c1-4-10-9(3)14-12(15-13(10)18)11-8-16(5-2)6-7-17-11/h11H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyNJJDXXYNIJRZMG-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.40
Rot. Bonds3

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

5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106477029) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106477029
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
SMILESCCc1c(C)[nH]c(C2CN(CC)CCO2)nc1=S
InChIInChI=1S/C13H21N3OS/c1-4-10-9(3)14-12(15-13(10)18)11-8-16(5-2)6-7-17-11/h11H,4-8H2,1-3H3,(H,14,15,18)
InChIKeyNJJDXXYNIJRZMG-UHFFFAOYSA-N
XLogP2.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.40
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-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475565
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-(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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione (CID 106477029) is 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione is CCc1c(C)[nH]c(C2CN(CC)CCO2)nc1=S.
What is the InChIKey of 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is NJJDXXYNIJRZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10-9(3)14-12(15-13(10)18)11-8-16(5-2)6-7-17-11/h11H,4-8H2,1-3H3,(H,14,15,18).
What are the key properties of 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione?
5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 267.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).