2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

C16H24N4O — CID 97449700

IUPAC2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCc1cnc(N2CCC3(CCN(CC)C3=O)CC2)nc1
InChIInChI=1S/C16H24N4O/c1-3-13-11-17-15(18-12-13)20-9-6-16(7-10-20)5-8-19(4-2)14(16)21/h11-12H,3-10H2,1-2H3
InChIKeyGHHCEPINAOBLJB-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.88
Rot. Bonds3

About 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one

2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449700) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449700
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCCc1cnc(N2CCC3(CCN(CC)C3=O)CC2)nc1
InChIInChI=1S/C16H24N4O/c1-3-13-11-17-15(18-12-13)20-9-6-16(7-10-20)5-8-19(4-2)14(16)21/h11-12H,3-10H2,1-2H3
InChIKeyGHHCEPINAOBLJB-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449700) is 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is CCc1cnc(N2CCC3(CCN(CC)C3=O)CC2)nc1.
What is the InChIKey of 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GHHCEPINAOBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-13-11-17-15(18-12-13)20-9-6-16(7-10-20)5-8-19(4-2)14(16)21/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 288.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).