2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione

C13H21N3OS — CID 106475251

IUPAC2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CN(CC)CCO2)[nH]1
InChIInChI=1S/C13H21N3OS/c1-3-5-10-8-12(18)15-13(14-10)11-9-16(4-2)6-7-17-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,18)
InChIKeyORZLMDPUAJEXQR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.48
Rot. Bonds4

About 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione

2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475251) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475251
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CN(CC)CCO2)[nH]1
InChIInChI=1S/C13H21N3OS/c1-3-5-10-8-12(18)15-13(14-10)11-9-16(4-2)6-7-17-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,18)
InChIKeyORZLMDPUAJEXQR-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'}

Analyze 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475094
2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475115
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(ethoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475203
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475251) is 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CN(CC)CCO2)[nH]1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ORZLMDPUAJEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-5-10-8-12(18)15-13(14-10)11-9-16(4-2)6-7-17-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,18).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(4-ethylmorpholin-2-yl)-6-propyl-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 2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).