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

C18H23N5O — CID 97372248

IUPAC4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCOC3(CCN(c4ncccn4)CC3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-2-7-19-16(4-1)14-22-12-13-24-18(15-22)5-10-23(11-6-18)17-20-8-3-9-21-17/h1-4,7-9H,5-6,10-15H2
InChIKeyRFQMGGGIQPOZQT-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.74
Rot. Bonds3

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

4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372248) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372248
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CN2CCOC3(CCN(c4ncccn4)CC3)C2)nc1
InChIInChI=1S/C18H23N5O/c1-2-7-19-16(4-1)14-22-12-13-24-18(15-22)5-10-23(11-6-18)17-20-8-3-9-21-17/h1-4,7-9H,5-6,10-15H2
InChIKeyRFQMGGGIQPOZQT-UHFFFAOYSA-N
XLogP1.74
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.74
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]undecane?
The IUPAC name of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372248) is 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is c1ccc(CN2CCOC3(CCN(c4ncccn4)CC3)C2)nc1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is RFQMGGGIQPOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-7-19-16(4-1)14-22-12-13-24-18(15-22)5-10-23(11-6-18)17-20-8-3-9-21-17/h1-4,7-9H,5-6,10-15H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(pyridin-2-ylmethyl)-9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 325.42 g/mol, XLogP of 1.74, 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]undecane is sourced from PubChem (CID 97372248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).