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

C19H24N6O2 — CID 134177555

IUPAC8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone
SMILESC[C@@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1
InChIInChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeyRZEQDKIIEMKNMN-CQSZACIVSA-N
MW368.44 g/mol
LogP2.08
Rot. Bonds4

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

8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone (PubChem CID 134177555) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone
PubChem CID134177555
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone
SMILESC[C@@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1
InChIInChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m1/s1
InChIKeyRZEQDKIIEMKNMN-CQSZACIVSA-N
XLogP2.08
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone?
The IUPAC name of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone (CID 134177555) is 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone?
The canonical SMILES for 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone is C[C@@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1.
What is the InChIKey of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone?
The InChIKey is RZEQDKIIEMKNMN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone?
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 2.08, 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-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).