7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone

C17H20N6O2 — CID 139580323

IUPAC7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cncnc2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C17H20N6O2/c24-15(23-10-17(11-23)1-3-25-4-2-17)14-8-21-16(22-9-14)20-7-13-5-18-12-19-6-13/h5-6,8-9,12H,1-4,7,10-11H2,(H,20,21,22)
InChIKeyBWZUFEZZZJTYFY-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.13
Rot. Bonds4

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

7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 139580323) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID139580323
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cncnc2)nc1)N1CC2(CCOCC2)C1
InChIInChI=1S/C17H20N6O2/c24-15(23-10-17(11-23)1-3-25-4-2-17)14-8-21-16(22-9-14)20-7-13-5-18-12-19-6-13/h5-6,8-9,12H,1-4,7,10-11H2,(H,20,21,22)
InChIKeyBWZUFEZZZJTYFY-UHFFFAOYSA-N
XLogP1.13
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US10906888, Example 131
CID 134177664
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US10906888, Example 149
CID 139580322
US10906888, Example 147
CID 141745990
US10906888, Example 133
CID 141745991
US10906888, Example 135
CID 134177683
US10906888, Example 150
CID 139580307
US10906888, Example 185
CID 139580415
US10906888, Example 167
CID 134177682
US10906888, Example 168
CID 145441233
US10906888, Example 169
CID 145441260
US10906888, Example 134
CID 134177681

Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone (CID 139580323) is 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cncnc2)nc1)N1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is BWZUFEZZZJTYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15(23-10-17(11-23)1-3-25-4-2-17)14-8-21-16(22-9-14)20-7-13-5-18-12-19-6-13/h5-6,8-9,12H,1-4,7,10-11H2,(H,20,21,22).
What are the key properties of 7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone?
7-oxa-2-azaspiro[3.5]nonan-2-yl-[2-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 1.13, 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-(pyrimidin-5-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 139580323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).