7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone

C19H22N6O3 — CID 134177681

IUPAC7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)COC2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C19H22N6O3/c26-16(25-9-18(10-25)1-3-27-4-2-18)14-5-22-17(23-6-14)24-19(11-28-12-19)15-7-20-13-21-8-15/h5-8,13H,1-4,9-12H2,(H,22,23,24)
InChIKeyKOEKFLKFFDQGJU-UHFFFAOYSA-N
MW382.42 g/mol
LogP0.86
Rot. Bonds4

About 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone

7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone (PubChem CID 134177681) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone
PubChem CID134177681
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)COC2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C19H22N6O3/c26-16(25-9-18(10-25)1-3-27-4-2-18)14-5-22-17(23-6-14)24-19(11-28-12-19)15-7-20-13-21-8-15/h5-8,13H,1-4,9-12H2,(H,22,23,24)
InChIKeyKOEKFLKFFDQGJU-UHFFFAOYSA-N
XLogP0.86
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone (CID 134177681) is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)COC2)nc1)N1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone?
The InChIKey is KOEKFLKFFDQGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c26-16(25-9-18(10-25)1-3-27-4-2-18)14-5-22-17(23-6-14)24-19(11-28-12-19)15-7-20-13-21-8-15/h5-8,13H,1-4,9-12H2,(H,22,23,24).
What are the key properties of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone?
7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone has a molecular weight of 382.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-[(3-pyrimidin-5-yloxetan-3-yl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 134177681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).