7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone

C19H24N6O2 — CID 134177664

IUPAC7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)(Nc1ncc(C(=O)N2CC3(CCOCC3)C2)cn1)c1cnccn1
InChIInChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)
InChIKeyZAZCXKUHBDUQPR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.87
Rot. Bonds4

About 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone

7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone (PubChem CID 134177664) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone
PubChem CID134177664
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone
SMILESCC(C)(Nc1ncc(C(=O)N2CC3(CCOCC3)C2)cn1)c1cnccn1
InChIInChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)
InChIKeyZAZCXKUHBDUQPR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone (CID 134177664) is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone is CC(C)(Nc1ncc(C(=O)N2CC3(CCOCC3)C2)cn1)c1cnccn1.
What is the InChIKey of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
The InChIKey is ZAZCXKUHBDUQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone?
7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(2-pyrazin-2-ylpropan-2-ylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).