1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone

C21H27N5O2 — CID 56753797

IUPAC1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
SMILESNc1ncc(CN2CCC3(CCCN(C(=O)COc4ccccc4)C3)C2)cn1
InChIInChI=1S/C21H27N5O2/c22-20-23-11-17(12-24-20)13-25-10-8-21(15-25)7-4-9-26(16-21)19(27)14-28-18-5-2-1-3-6-18/h1-3,5-6,11-12H,4,7-10,13-16H2,(H2,22,23,24)
InChIKeyNLTVHZRJRRAIFW-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone

1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone (PubChem CID 56753797) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
PubChem CID56753797
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
SMILESNc1ncc(CN2CCC3(CCCN(C(=O)COc4ccccc4)C3)C2)cn1
InChIInChI=1S/C21H27N5O2/c22-20-23-11-17(12-24-20)13-25-10-8-21(15-25)7-4-9-26(16-21)19(27)14-28-18-5-2-1-3-6-18/h1-3,5-6,11-12H,4,7-10,13-16H2,(H2,22,23,24)
InChIKeyNLTVHZRJRRAIFW-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
2-[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-2-oxoethoxy]acetic acid;2,2,2-trifluoroacetic acid
CID 166240208
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
(4-fluorophenyl)-[(5R)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 95191462
(3,5-dimethoxyphenyl)-[(5R)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95208822

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone (CID 56753797) is 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone is Nc1ncc(CN2CCC3(CCCN(C(=O)COc4ccccc4)C3)C2)cn1.
What is the InChIKey of 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
The InChIKey is NLTVHZRJRRAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c22-20-23-11-17(12-24-20)13-25-10-8-21(15-25)7-4-9-26(16-21)19(27)14-28-18-5-2-1-3-6-18/h1-3,5-6,11-12H,4,7-10,13-16H2,(H2,22,23,24).
What are the key properties of 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone?
1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone has a molecular weight of 381.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone is sourced from PubChem (CID 56753797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).