4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H21N5O2 — CID 97451048

IUPAC4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncccn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C18H21N5O2/c24-16-13-25-18(14-23(16)12-15-4-1-2-7-19-15)5-10-22(11-6-18)17-20-8-3-9-21-17/h1-4,7-9H,5-6,10-14H2
InChIKeyOWNSDSQYNIYGHE-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.27
Rot. Bonds3

About 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97451048) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97451048
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncccn3)CC2)CN1Cc1ccccn1
InChIInChI=1S/C18H21N5O2/c24-16-13-25-18(14-23(16)12-15-4-1-2-7-19-15)5-10-22(11-6-18)17-20-8-3-9-21-17/h1-4,7-9H,5-6,10-14H2
InChIKeyOWNSDSQYNIYGHE-UHFFFAOYSA-N
XLogP1.27
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97451048) is 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ncccn3)CC2)CN1Cc1ccccn1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OWNSDSQYNIYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16-13-25-18(14-23(16)12-15-4-1-2-7-19-15)5-10-22(11-6-18)17-20-8-3-9-21-17/h1-4,7-9H,5-6,10-14H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 339.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97451048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).