2-morpholin-4-yl-1H-pyrimidine-6-thione

C8H11N3OS — CID 106476384

IUPAC2-morpholin-4-yl-1H-pyrimidine-6-thione
SMILESS=c1ccnc(N2CCOCC2)[nH]1
InChIInChI=1S/C8H11N3OS/c13-7-1-2-9-8(10-7)11-3-5-12-6-4-11/h1-2H,3-6H2,(H,9,10,13)
InChIKeyDCAOZIXXLPSQAN-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.98
Rot. Bonds1

About 2-morpholin-4-yl-1H-pyrimidine-6-thione

2-morpholin-4-yl-1H-pyrimidine-6-thione (PubChem CID 106476384) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-morpholin-4-yl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-morpholin-4-yl-1H-pyrimidine-6-thione
PubChem CID106476384
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-morpholin-4-yl-1H-pyrimidine-6-thione
SMILESS=c1ccnc(N2CCOCC2)[nH]1
InChIInChI=1S/C8H11N3OS/c13-7-1-2-9-8(10-7)11-3-5-12-6-4-11/h1-2H,3-6H2,(H,9,10,13)
InChIKeyDCAOZIXXLPSQAN-UHFFFAOYSA-N
XLogP0.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-morpholin-4-yl-1H-pyrimidine-6-thione?
The IUPAC name of 2-morpholin-4-yl-1H-pyrimidine-6-thione (CID 106476384) is 2-morpholin-4-yl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-morpholin-4-yl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-morpholin-4-yl-1H-pyrimidine-6-thione is S=c1ccnc(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-1H-pyrimidine-6-thione?
The InChIKey is DCAOZIXXLPSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c13-7-1-2-9-8(10-7)11-3-5-12-6-4-11/h1-2H,3-6H2,(H,9,10,13).
What are the key properties of 2-morpholin-4-yl-1H-pyrimidine-6-thione?
2-morpholin-4-yl-1H-pyrimidine-6-thione has a molecular weight of 197.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).