3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C12H15N5O3 — CID 106528266

IUPAC3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cnc(CN2C(=O)NC3(CCOCC3)C2=O)cn1
InChIInChI=1S/C12H15N5O3/c13-9-6-14-8(5-15-9)7-17-10(18)12(16-11(17)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H2,13,15)(H,16,19)
InChIKeyUXIKDQIMAWHJSQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.34
Rot. Bonds2

About 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528266) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528266
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cnc(CN2C(=O)NC3(CCOCC3)C2=O)cn1
InChIInChI=1S/C12H15N5O3/c13-9-6-14-8(5-15-9)7-17-10(18)12(16-11(17)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H2,13,15)(H,16,19)
InChIKeyUXIKDQIMAWHJSQ-UHFFFAOYSA-N
XLogP-0.34
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528266) is 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is Nc1cnc(CN2C(=O)NC3(CCOCC3)C2=O)cn1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UXIKDQIMAWHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c13-9-6-14-8(5-15-9)7-17-10(18)12(16-11(17)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H2,13,15)(H,16,19).
What are the key properties of 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).