2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone

C16H25N5O — CID 95227903

IUPAC2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCC[C@@]2(CCNC2)C1
InChIInChI=1S/C16H25N5O/c1-11-13(12(2)20-15(17)19-11)8-14(22)21-7-3-4-16(10-21)5-6-18-9-16/h18H,3-10H2,1-2H3,(H2,17,19,20)/t16-/m0/s1
InChIKeyFMQVOAGLCSDPEQ-INIZCTEOSA-N
MW303.41 g/mol
LogP0.82
Rot. Bonds2

About 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone (PubChem CID 95227903) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
PubChem CID95227903
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCC[C@@]2(CCNC2)C1
InChIInChI=1S/C16H25N5O/c1-11-13(12(2)20-15(17)19-11)8-14(22)21-7-3-4-16(10-21)5-6-18-9-16/h18H,3-10H2,1-2H3,(H2,17,19,20)/t16-/m0/s1
InChIKeyFMQVOAGLCSDPEQ-INIZCTEOSA-N
XLogP0.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-[(5R)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 95216869
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 95719356
2-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881449
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(4-hydroxyphenyl)ethanone
CID 82038156
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(2-ethylimidazol-1-yl)propan-1-one
CID 56760278
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-(2-ethylimidazol-1-yl)ethanone
CID 56746292
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-phenylethanone
CID 82038242
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone (CID 95227903) is 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone is Cc1nc(N)nc(C)c1CC(=O)N1CCC[C@@]2(CCNC2)C1.
What is the InChIKey of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is FMQVOAGLCSDPEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-13(12(2)20-15(17)19-11)8-14(22)21-7-3-4-16(10-21)5-6-18-9-16/h18H,3-10H2,1-2H3,(H2,17,19,20)/t16-/m0/s1.
What are the key properties of 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone?
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 95227903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).