2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one

C19H22N4O — CID 70746319

IUPAC2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ncccn3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C19H22N4O/c24-17-13-19(15-23(17)14-16-5-2-1-3-6-16)7-11-22(12-8-19)18-20-9-4-10-21-18/h1-6,9-10H,7-8,11-15H2
InChIKeyYQBMMJRRIPCMQV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.50
Rot. Bonds3

About 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one

2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70746319) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70746319
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3ncccn3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C19H22N4O/c24-17-13-19(15-23(17)14-16-5-2-1-3-6-16)7-11-22(12-8-19)18-20-9-4-10-21-18/h1-6,9-10H,7-8,11-15H2
InChIKeyYQBMMJRRIPCMQV-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-8-(7H-purin-6-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70730559
2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72849443
2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70733639
2-methyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 175822956
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
2-benzyl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decane-8-carbonitrile
CID 118666320
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one (CID 70746319) is 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3ncccn3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is YQBMMJRRIPCMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-17-13-19(15-23(17)14-16-5-2-1-3-6-16)7-11-22(12-8-19)18-20-9-4-10-21-18/h1-6,9-10H,7-8,11-15H2.
What are the key properties of 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 322.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70746319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).