2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone

C21H27N5O — CID 122561012

IUPAC2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
SMILESCNc1nc(C)cc(-c2cccc(C(=O)N3CCC4(CCNCC4)C3)c2)n1
InChIInChI=1S/C21H27N5O/c1-15-12-18(25-20(22-2)24-15)16-4-3-5-17(13-16)19(27)26-11-8-21(14-26)6-9-23-10-7-21/h3-5,12-13,23H,6-11,14H2,1-2H3,(H,22,24,25)
InChIKeyXHAZNIZHDWZBEW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.71
Rot. Bonds3

About 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone

2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone (PubChem CID 122561012) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
PubChem CID122561012
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone
SMILESCNc1nc(C)cc(-c2cccc(C(=O)N3CCC4(CCNCC4)C3)c2)n1
InChIInChI=1S/C21H27N5O/c1-15-12-18(25-20(22-2)24-15)16-4-3-5-17(13-16)19(27)26-11-8-21(14-26)6-9-23-10-7-21/h3-5,12-13,23H,6-11,14H2,1-2H3,(H,22,24,25)
InChIKeyXHAZNIZHDWZBEW-UHFFFAOYSA-N
XLogP2.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-diazaspiro[4.4]nonan-2-yl-(3-methylphenyl)methanone
CID 82038241
2,8-diazaspiro[4.5]decan-2-yl-(4-hydroxy-3-methylphenyl)methanone
CID 91764202
[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 121496815
[3-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 169420226
(5R)-7-[3-(2-amino-6-methylpyrimidin-4-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125178317
3,9-diazaspiro[5.6]dodecan-9-yl-[3-[3-(hydroxymethyl)phenyl]phenyl]methanone
CID 119073263
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
3-fluoro-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119259285
2,8-diazaspiro[4.5]decan-2-yl-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507872
2,8-diazaspiro[4.5]decan-2-yl-(5-methylsulfonylthiophen-3-yl)methanone
CID 154762720
2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941
3-[3-(4-hydroxy-2,9-diazaspiro[5.5]undecane-2-carbonyl)phenyl]chromen-2-one
CID 171909101

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone (CID 122561012) is 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone is CNc1nc(C)cc(-c2cccc(C(=O)N3CCC4(CCNCC4)C3)c2)n1.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone?
The InChIKey is XHAZNIZHDWZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-12-18(25-20(22-2)24-15)16-4-3-5-17(13-16)19(27)26-11-8-21(14-26)6-9-23-10-7-21/h3-5,12-13,23H,6-11,14H2,1-2H3,(H,22,24,25).
What are the key properties of 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone?
2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-2-yl-[3-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]methanone is sourced from PubChem (CID 122561012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).