2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one

C23H27N5O4 — CID 121314018

IUPAC2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccnc(N)n2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C23H27N5O4/c1-14-15(2-3-16-17(14)13-32-20(16)30)18(29)12-27-9-5-23(6-10-27)7-11-28(21(23)31)19-4-8-25-22(24)26-19/h2-4,8,18,29H,5-7,9-13H2,1H3,(H2,24,25,26)/t18-/m0/s1
InChIKeyYQUUTFXGYXNNAI-SFHVURJKSA-N
MW437.50 g/mol
LogP1.59
Rot. Bonds4

About 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one

2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 121314018) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID121314018
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccnc(N)n2)C3=O)ccc2c1COC2=O
InChIInChI=1S/C23H27N5O4/c1-14-15(2-3-16-17(14)13-32-20(16)30)18(29)12-27-9-5-23(6-10-27)7-11-28(21(23)31)19-4-8-25-22(24)26-19/h2-4,8,18,29H,5-7,9-13H2,1H3,(H2,24,25,26)/t18-/m0/s1
InChIKeyYQUUTFXGYXNNAI-SFHVURJKSA-N
XLogP1.59
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one (CID 121314018) is 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1c([C@@H](O)CN2CCC3(CC2)CCN(c2ccnc(N)n2)C3=O)ccc2c1COC2=O.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YQUUTFXGYXNNAI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14-15(2-3-16-17(14)13-32-20(16)30)18(29)12-27-9-5-23(6-10-27)7-11-28(21(23)31)19-4-8-25-22(24)26-19/h2-4,8,18,29H,5-7,9-13H2,1H3,(H2,24,25,26)/t18-/m0/s1.
What are the key properties of 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one?
2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 437.50 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 121314018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).