4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H23N5O2 — CID 118742931

IUPAC4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCOC3(COCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C18H23N5O2/c1-2-5-19-16(4-1)12-22-8-11-25-18(13-22)14-23(9-10-24-15-18)17-20-6-3-7-21-17/h1-7H,8-15H2
InChIKeyUIRQFLLAJGBTSW-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.98
Rot. Bonds3

About 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118742931) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118742931
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESc1ccc(CN2CCOC3(COCCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C18H23N5O2/c1-2-5-19-16(4-1)12-22-8-11-25-18(13-22)14-23(9-10-24-15-18)17-20-6-3-7-21-17/h1-7H,8-15H2
InChIKeyUIRQFLLAJGBTSW-UHFFFAOYSA-N
XLogP0.98
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118742931) is 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is c1ccc(CN2CCOC3(COCCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is UIRQFLLAJGBTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-5-19-16(4-1)12-22-8-11-25-18(13-22)14-23(9-10-24-15-18)17-20-6-3-7-21-17/h1-7H,8-15H2.
What are the key properties of 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 341.41 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118742931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).