2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C14H22N4 — CID 56756393

IUPAC2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCCc1cnc(N2CCC3(CCCNC3)C2)nc1
InChIInChI=1S/C14H22N4/c1-2-12-8-16-13(17-9-12)18-7-5-14(11-18)4-3-6-15-10-14/h8-9,15H,2-7,10-11H2,1H3
InChIKeyDBJXQANRNCPFNY-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.62
Rot. Bonds2

About 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 56756393) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID56756393
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCCc1cnc(N2CCC3(CCCNC3)C2)nc1
InChIInChI=1S/C14H22N4/c1-2-12-8-16-13(17-9-12)18-7-5-14(11-18)4-3-6-15-10-14/h8-9,15H,2-7,10-11H2,1H3
InChIKeyDBJXQANRNCPFNY-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 95203740
2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482395
2-(5-ethylpyrimidin-2-yl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 98587801
5-[4-(2,9-diazaspiro[4.5]decan-2-yl)-7-ethylquinolin-2-yl]-N,N-dimethylpyridin-2-amine
CID 177173548
7-(5-ethylpyrimidin-2-yl)-2-methoxy-7-azaspiro[3.5]nonane
CID 97451274
2-(2,9-diazaspiro[4.5]decan-2-yl)-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-4-ethoxypyrimidine-5-carboxamide
CID 177108640
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56750221
[4-(2,9-diazaspiro[4.5]decan-2-yl)-6-methylpyrimidin-2-yl]methanol
CID 166266789
1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 56755831

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 56756393) is 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is CCc1cnc(N2CCC3(CCCNC3)C2)nc1.
What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is DBJXQANRNCPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-12-8-16-13(17-9-12)18-7-5-14(11-18)4-3-6-15-10-14/h8-9,15H,2-7,10-11H2,1H3.
What are the key properties of 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 246.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56756393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).