2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C20H28N4O2 — CID 72868538

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(c1ncnc3c1CCC3)C2
InChIInChI=1S/C20H28N4O2/c25-19-20(7-2-9-24(19)15-5-11-26-12-6-15)8-10-23(13-20)18-16-3-1-4-17(16)21-14-22-18/h14-15H,1-13H2
InChIKeyQSHREXDPNLRQAE-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.96
Rot. Bonds2

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72868538) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72868538
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(c1ncnc3c1CCC3)C2
InChIInChI=1S/C20H28N4O2/c25-19-20(7-2-9-24(19)15-5-11-26-12-6-15)8-10-23(13-20)18-16-3-1-4-17(16)21-14-22-18/h14-15H,1-13H2
InChIKeyQSHREXDPNLRQAE-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72868538) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCCC12CCN(c1ncnc3c1CCC3)C2.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QSHREXDPNLRQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19-20(7-2-9-24(19)15-5-11-26-12-6-15)8-10-23(13-20)18-16-3-1-4-17(16)21-14-22-18/h14-15H,1-13H2.
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.47 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72868538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).