8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane

C16H26N4 — CID 64946171

IUPAC8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1ccnc(C)n1
InChIInChI=1S/C16H26N4/c1-3-15-10-18-16(7-4-5-8-16)12-20(15)11-14-6-9-17-13(2)19-14/h6,9,15,18H,3-5,7-8,10-12H2,1-2H3
InChIKeyYCPCDWUMJMVKSC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.28
Rot. Bonds3

About 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane

8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64946171) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64946171
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
SMILESCCC1CNC2(CCCC2)CN1Cc1ccnc(C)n1
InChIInChI=1S/C16H26N4/c1-3-15-10-18-16(7-4-5-8-16)12-20(15)11-14-6-9-17-13(2)19-14/h6,9,15,18H,3-5,7-8,10-12H2,1-2H3
InChIKeyYCPCDWUMJMVKSC-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 64946365
5-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64940035
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
4-[(2-ethyl-5-propylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64945783
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-5-methyl-1,3-oxazole
CID 106376763
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64948217
10-[(2-methylpyrimidin-4-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64949153
8-ethyl-9-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64875635
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877165
9-[(2-chlorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64875826
4-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 64946749
3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64947932

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane (CID 64946171) is 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane is CCC1CNC2(CCCC2)CN1Cc1ccnc(C)n1.
What is the InChIKey of 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is YCPCDWUMJMVKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-15-10-18-16(7-4-5-8-16)12-20(15)11-14-6-9-17-13(2)19-14/h6,9,15,18H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane?
8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 274.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-[(2-methylpyrimidin-4-yl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64946171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).