8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

C23H30N4O — CID 72897530

IUPAC8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ncnc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)c1C
InChIInChI=1S/C23H30N4O/c1-18-19(2)24-17-25-22(18)26-13-10-23(11-14-26)15-21(28)27(16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyPCNRNUJZYOGLMO-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.55
Rot. Bonds5

About 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72897530) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72897530
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ncnc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)c1C
InChIInChI=1S/C23H30N4O/c1-18-19(2)24-17-25-22(18)26-13-10-23(11-14-26)15-21(28)27(16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3
InChIKeyPCNRNUJZYOGLMO-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72922126
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72925497
8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72890162
8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97190991
9-(5,6-dimethylpyrimidin-4-yl)-2-[(2S)-2-hydroxypropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97116547
2-benzyl-8-(7H-purin-6-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70730559
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 142220575
(3R)-8-(5,6-dimethylpyrimidin-4-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95726472
8-(5,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686555
8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899673

Frequently Asked Questions

What is the IUPAC name of 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72897530) is 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1ncnc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)c1C.
What is the InChIKey of 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PCNRNUJZYOGLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-19(2)24-17-25-22(18)26-13-10-23(11-14-26)15-21(28)27(16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3.
What are the key properties of 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 378.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72897530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).