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

C13H21N3OS — CID 106476067

IUPAC6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(CC)[nH]2)C1
InChIInChI=1S/C13H21N3OS/c1-3-5-16-6-7-17-11(9-16)13-14-10(4-2)8-12(18)15-13/h8,11H,3-7,9H2,1-2H3,(H,14,15,18)
InChIKeyFVRHWTQPETWOAM-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.48
Rot. Bonds4

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

6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476067) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476067
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(CC)[nH]2)C1
InChIInChI=1S/C13H21N3OS/c1-3-5-16-6-7-17-11(9-16)13-14-10(4-2)8-12(18)15-13/h8,11H,3-7,9H2,1-2H3,(H,14,15,18)
InChIKeyFVRHWTQPETWOAM-UHFFFAOYSA-N
XLogP2.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.48
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-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
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-(1-ethoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475398
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475457
2-(1-methoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475462

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106476067) is 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)cc(CC)[nH]2)C1.
What is the InChIKey of 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is FVRHWTQPETWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-5-16-6-7-17-11(9-16)13-14-10(4-2)8-12(18)15-13/h8,11H,3-7,9H2,1-2H3,(H,14,15,18).
What are the key properties of 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 267.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).