2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H28N4O — CID 72890965

IUPAC2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(c2ccccc2)CC2(CCN(Cc3ncccn3)CC2)CN1C1CC1
InChIInChI=1S/C23H28N4O/c28-22-20(18-5-2-1-3-6-18)15-23(17-27(22)19-7-8-19)9-13-26(14-10-23)16-21-24-11-4-12-25-21/h1-6,11-12,19-20H,7-10,13-17H2
InChIKeyMGIIKTFYSVEWDR-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.24
Rot. Bonds4

About 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72890965) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72890965
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(c2ccccc2)CC2(CCN(Cc3ncccn3)CC2)CN1C1CC1
InChIInChI=1S/C23H28N4O/c28-22-20(18-5-2-1-3-6-18)15-23(17-27(22)19-7-8-19)9-13-26(14-10-23)16-21-24-11-4-12-25-21/h1-6,11-12,19-20H,7-10,13-17H2
InChIKeyMGIIKTFYSVEWDR-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72890965) is 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1C(c2ccccc2)CC2(CCN(Cc3ncccn3)CC2)CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MGIIKTFYSVEWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-22-20(18-5-2-1-3-6-18)15-23(17-27(22)19-7-8-19)9-13-26(14-10-23)16-21-24-11-4-12-25-21/h1-6,11-12,19-20H,7-10,13-17H2.
What are the key properties of 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72890965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).