5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one

C6H8N3OSe — CID 90220663

IUPAC—
SMILESCNCc1cnc([Se])[nH]c1=O
InChIInChI=1S/C6H8N3OSe/c1-7-2-4-3-8-6(11)9-5(4)10/h3,7H,2H2,1H3,(H,8,9,10)
InChIKeyMQBNKAPNUDLILZ-UHFFFAOYSA-N
MW217.11 g/mol
LogP-1.72
Rot. Bonds2

About 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one

5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one (PubChem CID 90220663) has the molecular formula C6H8N3OSe and a molecular weight of 217.11 g/mol.

Molecular Properties

Compound Name5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one
PubChem CID90220663
Molecular FormulaC6H8N3OSe
Molecular Weight217.11 g/mol
Exact Mass217.98
IUPAC Name—
SMILESCNCc1cnc([Se])[nH]c1=O
InChIInChI=1S/C6H8N3OSe/c1-7-2-4-3-8-6(11)9-5(4)10/h3,7H,2H2,1H3,(H,8,9,10)
InChIKeyMQBNKAPNUDLILZ-UHFFFAOYSA-N
XLogP-1.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one?
The IUPAC name of 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one (CID 90220663) is not available.
What is the SMILES notation for 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one?
The canonical SMILES for 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one is CNCc1cnc([Se])[nH]c1=O.
What is the InChIKey of 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one?
The InChIKey is MQBNKAPNUDLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3OSe/c1-7-2-4-3-8-6(11)9-5(4)10/h3,7H,2H2,1H3,(H,8,9,10).
What are the key properties of 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one?
5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one has a molecular weight of 217.11 g/mol, XLogP of -1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-((Methylamino)methyl)-2-selenoxo-2,3-dihydropyrimidin-4(1H)-one is sourced from PubChem (CID 90220663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).