8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C20H26N6O2 — CID 112862654

IUPAC8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)ncn3)CC2)nc1
InChIInChI=1S/C20H26N6O2/c1-2-6-21-17(3-1)25-9-11-26(12-10-25)19-15-18(22-16-23-19)24-7-4-20(5-8-24)27-13-14-28-20/h1-3,6,15-16H,4-5,7-14H2
InChIKeyZDDAJQGNHHXTBH-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.54
Rot. Bonds3

About 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112862654) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112862654
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)ncn3)CC2)nc1
InChIInChI=1S/C20H26N6O2/c1-2-6-21-17(3-1)25-9-11-26(12-10-25)19-15-18(22-16-23-19)24-7-4-20(5-8-24)27-13-14-28-20/h1-3,6,15-16H,4-5,7-14H2
InChIKeyZDDAJQGNHHXTBH-UHFFFAOYSA-N
XLogP1.54
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
4-(4-ethylpiperazin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112858073
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine
CID 112862686
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858912
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112862737
4,4-dihydroxy-8-pyridin-2-yl-1-oxa-4λ4-thia-8-azaspiro[4.5]decane
CID 173295717
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
CID 70338598
CID 70338598
8-(5-methyl-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79026576

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 112862654) is 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(N2CCN(c3cc(N4CCC5(CC4)OCCO5)ncn3)CC2)nc1.
What is the InChIKey of 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ZDDAJQGNHHXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-2-6-21-17(3-1)25-9-11-26(12-10-25)19-15-18(22-16-23-19)24-7-4-20(5-8-24)27-13-14-28-20/h1-3,6,15-16H,4-5,7-14H2.
What are the key properties of 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 382.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112862654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).