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

C21H27N5O — CID 72922126

IUPAC8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESNc1nccc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)n1
InChIInChI=1S/C21H27N5O/c22-20-23-11-8-18(24-20)25-13-9-21(10-14-25)15-19(27)26(16-21)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,11H,4,7,9-10,12-16H2,(H2,22,23,24)
InChIKeyGNAITSVJTSJENX-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.51
Rot. Bonds5

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

8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72922126) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72922126
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESNc1nccc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)n1
InChIInChI=1S/C21H27N5O/c22-20-23-11-8-18(24-20)25-13-9-21(10-14-25)15-19(27)26(16-21)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,11H,4,7,9-10,12-16H2,(H2,22,23,24)
InChIKeyGNAITSVJTSJENX-UHFFFAOYSA-N
XLogP2.51
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72897530
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
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97190991
8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72843442
4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine
CID 155717540
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
CID 56883222
8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899673
2-(3-hydroxypropyl)-9-(2-methylsulfanylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781998
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72922126) is 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is Nc1nccc(N2CCC3(CC2)CC(=O)N(CCCc2ccccc2)C3)n1.
What is the InChIKey of 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GNAITSVJTSJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c22-20-23-11-8-18(24-20)25-13-9-21(10-14-25)15-19(27)26(16-21)12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8,11H,4,7,9-10,12-16H2,(H2,22,23,24).
What are the key properties of 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 365.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72922126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).