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

C14H23N3OS — CID 106475057

IUPAC6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CN(CCC)CCO2)[nH]1
InChIInChI=1S/C14H23N3OS/c1-3-5-11-9-13(19)16-14(15-11)12-10-17(6-4-2)7-8-18-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,19)
InChIKeyGZSBFFDUVQVYAH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.87
Rot. Bonds5

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

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475057) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475057
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CN(CCC)CCO2)[nH]1
InChIInChI=1S/C14H23N3OS/c1-3-5-11-9-13(19)16-14(15-11)12-10-17(6-4-2)7-8-18-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,19)
InChIKeyGZSBFFDUVQVYAH-UHFFFAOYSA-N
XLogP2.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.87
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

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-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260

Frequently Asked Questions

What is the IUPAC name of 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106475057) is 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CN(CCC)CCO2)[nH]1.
What is the InChIKey of 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is GZSBFFDUVQVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-5-11-9-13(19)16-14(15-11)12-10-17(6-4-2)7-8-18-12/h9,12H,3-8,10H2,1-2H3,(H,15,16,19).
What are the key properties of 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 281.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).