2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol

C14H14N3OSe — CID 6330482

IUPAC—
SMILES[Se]c1nc(N2CCOCC2)ncc1-c1ccccc1
InChIInChI=1S/C14H14N3OSe/c19-13-12(11-4-2-1-3-5-11)10-15-14(16-13)17-6-8-18-9-7-17/h1-5,10H,6-9H2
InChIKeyKMZDLRPLIFDMSB-UHFFFAOYSA-N
MW319.25 g/mol
LogP0.77
Rot. Bonds2

About 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol

2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol (PubChem CID 6330482) has the molecular formula C14H14N3OSe and a molecular weight of 319.25 g/mol.

Molecular Properties

Compound Name2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol
PubChem CID6330482
Molecular FormulaC14H14N3OSe
Molecular Weight319.25 g/mol
Exact Mass320.03
IUPAC Name—
SMILES[Se]c1nc(N2CCOCC2)ncc1-c1ccccc1
InChIInChI=1S/C14H14N3OSe/c19-13-12(11-4-2-1-3-5-11)10-15-14(16-13)17-6-8-18-9-7-17/h1-5,10H,6-9H2
InChIKeyKMZDLRPLIFDMSB-UHFFFAOYSA-N
XLogP0.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol?
The IUPAC name of 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol (CID 6330482) is not available.
What is the SMILES notation for 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol?
The canonical SMILES for 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol is [Se]c1nc(N2CCOCC2)ncc1-c1ccccc1.
What is the InChIKey of 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol?
The InChIKey is KMZDLRPLIFDMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3OSe/c19-13-12(11-4-2-1-3-5-11)10-15-14(16-13)17-6-8-18-9-7-17/h1-5,10H,6-9H2.
What are the key properties of 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol?
2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol has a molecular weight of 319.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Morpholin-4-yl-5-phenylpyrimidine-4-selenol is sourced from PubChem (CID 6330482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).