6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione

C14H22N4O2S — CID 82457623

IUPAC6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(NCCN2CCOCC2)[nH]c(C2CCCO2)n1
InChIInChI=1S/C14H22N4O2S/c21-13-10-12(15-3-4-18-5-8-19-9-6-18)16-14(17-13)11-2-1-7-20-11/h10-11H,1-9H2,(H2,15,16,17,21)
InChIKeyJWWNSZJKUFRVKN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.73
Rot. Bonds5

About 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione

6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 82457623) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID82457623
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(NCCN2CCOCC2)[nH]c(C2CCCO2)n1
InChIInChI=1S/C14H22N4O2S/c21-13-10-12(15-3-4-18-5-8-19-9-6-18)16-14(17-13)11-2-1-7-20-11/h10-11H,1-9H2,(H2,15,16,17,21)
InChIKeyJWWNSZJKUFRVKN-UHFFFAOYSA-N
XLogP1.73
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (CID 82457623) is 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is S=c1cc(NCCN2CCOCC2)[nH]c(C2CCCO2)n1.
What is the InChIKey of 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is JWWNSZJKUFRVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c21-13-10-12(15-3-4-18-5-8-19-9-6-18)16-14(17-13)11-2-1-7-20-11/h10-11H,1-9H2,(H2,15,16,17,21).
What are the key properties of 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 310.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).