(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one

C19H20N6O — CID 126425496

IUPAC(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3ncnc4nc[nH]c34)CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20N6O/c26-18-14(13-4-2-1-3-5-13)10-19(24-18)6-8-25(9-7-19)17-15-16(21-11-20-15)22-12-23-17/h1-5,11-12,14H,6-10H2,(H,24,26)(H,20,21,22,23)/t14-/m0/s1
InChIKeyVRHUNHYYHMKUFK-AWEZNQCLSA-N
MW348.41 g/mol
LogP2.00
Rot. Bonds2

About (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one

(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 126425496) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID126425496
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(c3ncnc4nc[nH]c34)CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C19H20N6O/c26-18-14(13-4-2-1-3-5-13)10-19(24-18)6-8-25(9-7-19)17-15-16(21-11-20-15)22-12-23-17/h1-5,11-12,14H,6-10H2,(H,24,26)(H,20,21,22,23)/t14-/m0/s1
InChIKeyVRHUNHYYHMKUFK-AWEZNQCLSA-N
XLogP2.00
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one (CID 126425496) is (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(c3ncnc4nc[nH]c34)CC2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VRHUNHYYHMKUFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O/c26-18-14(13-4-2-1-3-5-13)10-19(24-18)6-8-25(9-7-19)17-15-16(21-11-20-15)22-12-23-17/h1-5,11-12,14H,6-10H2,(H,24,26)(H,20,21,22,23)/t14-/m0/s1.
What are the key properties of (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one?
(3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-8-(7H-purin-6-yl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 126425496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).