2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C20H27N5 — CID 98587801

IUPAC2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCCc1cnc(N2CCC3(CCN(Cc4ccccn4)CC3)C2)nc1
InChIInChI=1S/C20H27N5/c1-2-17-13-22-19(23-14-17)25-12-8-20(16-25)6-10-24(11-7-20)15-18-5-3-4-9-21-18/h3-5,9,13-14H,2,6-8,10-12,15-16H2,1H3
InChIKeyBLXFKVUHACMRMZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.93
Rot. Bonds4

About 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane

2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 98587801) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID98587801
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCCc1cnc(N2CCC3(CCN(Cc4ccccn4)CC3)C2)nc1
InChIInChI=1S/C20H27N5/c1-2-17-13-22-19(23-14-17)25-12-8-20(16-25)6-10-24(11-7-20)15-18-5-3-4-9-21-18/h3-5,9,13-14H,2,6-8,10-12,15-16H2,1H3
InChIKeyBLXFKVUHACMRMZ-UHFFFAOYSA-N
XLogP2.93
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(6-methyl-2-pyridinyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449503
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
2-(pyridin-2-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171673288
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 56756393
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 98587801) is 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is CCc1cnc(N2CCC3(CCN(Cc4ccccn4)CC3)C2)nc1.
What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is BLXFKVUHACMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-2-17-13-22-19(23-14-17)25-12-8-20(16-25)6-10-24(11-7-20)15-18-5-3-4-9-21-18/h3-5,9,13-14H,2,6-8,10-12,15-16H2,1H3.
What are the key properties of 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 337.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 98587801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).