8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C21H21N5O2 — CID 5066784

IUPAC8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2cc(N3CCC4(CC3)OCCO4)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C21H21N5O2/c1-3-9-22-16(5-1)18-15-19(25-20(24-18)17-6-2-4-10-23-17)26-11-7-21(8-12-26)27-13-14-28-21/h1-6,9-10,15H,7-8,11-14H2
InChIKeyWQBHFTGKOYMXLG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.94
Rot. Bonds3

About 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 5066784) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID5066784
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2cc(N3CCC4(CC3)OCCO4)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C21H21N5O2/c1-3-9-22-16(5-1)18-15-19(25-20(24-18)17-6-2-4-10-23-17)26-11-7-21(8-12-26)27-13-14-28-21/h1-6,9-10,15H,7-8,11-14H2
InChIKeyWQBHFTGKOYMXLG-UHFFFAOYSA-N
XLogP2.94
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-6-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]pyrimidine
CID 138501462
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 138501606
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 138501614
2-[4-(6-Pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 4061280
3-[(2,6-Dipyridin-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 4077767
N,N-diethyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4101317
N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4177890
N-(2-methoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4345601
4-(2,6-Dipyridin-2-ylpyrimidin-4-yl)morpholine
CID 4460916
2,4-Dipyridin-2-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 5061793
4-morpholin-4-yl-N-phenyl-6-pyridin-2-ylpyrimidin-2-amine
CID 91800576
5-[2-[4-(1,5-Dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073654

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 5066784) is 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(-c2cc(N3CCC4(CC3)OCCO4)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is WQBHFTGKOYMXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-9-22-16(5-1)18-15-19(25-20(24-18)17-6-2-4-10-23-17)26-11-7-21(8-12-26)27-13-14-28-21/h1-6,9-10,15H,7-8,11-14H2.
What are the key properties of 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 375.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dipyridin-2-ylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 5066784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).