8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone

C21H26N6O2 — CID 134177751

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cnccn3)CCC2)nc1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C21H26N6O2/c28-18(27-9-4-20(15-27)5-10-29-11-6-20)16-12-24-19(25-13-16)26-21(2-1-3-21)17-14-22-7-8-23-17/h7-8,12-14H,1-6,9-11,15H2,(H,24,25,26)
InChIKeyNMEJEQWJOOWNFC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.40
Rot. Bonds4

About 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone (PubChem CID 134177751) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone
PubChem CID134177751
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cnccn3)CCC2)nc1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C21H26N6O2/c28-18(27-9-4-20(15-27)5-10-29-11-6-20)16-12-24-19(25-13-16)26-21(2-1-3-21)17-14-22-7-8-23-17/h7-8,12-14H,1-6,9-11,15H2,(H,24,25,26)
InChIKeyNMEJEQWJOOWNFC-UHFFFAOYSA-N
XLogP2.40
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone (CID 134177751) is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cnccn3)CCC2)nc1)N1CCC2(CCOCC2)C1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is NMEJEQWJOOWNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-18(27-9-4-20(15-27)5-10-29-11-6-20)16-12-24-19(25-13-16)26-21(2-1-3-21)17-14-22-7-8-23-17/h7-8,12-14H,1-6,9-11,15H2,(H,24,25,26).
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(1-pyrazin-2-ylcyclobutyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).