2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine

C6H11N2O- — CID 88720434

IUPAC2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine
SMILESCCC1=NCCCN1[O-]
InChIInChI=1S/C6H11N2O/c1-2-6-7-4-3-5-8(6)9/h2-5H2,1H3/q-1
InChIKeyXDZUSITZBVERIA-UHFFFAOYSA-N
MW127.17 g/mol
LogP1.00
Rot. Bonds1

About 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine

2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine (PubChem CID 88720434) has the molecular formula C6H11N2O- and a molecular weight of 127.17 g/mol. Its IUPAC name is 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine
PubChem CID88720434
Molecular FormulaC6H11N2O-
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine
SMILESCCC1=NCCCN1[O-]
InChIInChI=1S/C6H11N2O/c1-2-6-7-4-3-5-8(6)9/h2-5H2,1H3/q-1
InChIKeyXDZUSITZBVERIA-UHFFFAOYSA-N
XLogP1.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine (CID 88720434) is 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine is CCC1=NCCCN1[O-].
What is the InChIKey of 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine?
The InChIKey is XDZUSITZBVERIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O/c1-2-6-7-4-3-5-8(6)9/h2-5H2,1H3/q-1.
What are the key properties of 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine?
2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine has a molecular weight of 127.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 88720434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).