2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone

C20H24N4O — CID 56742818

IUPAC2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C20H24N4O/c1-15-17(12-22-18(23-15)16-6-3-2-4-7-16)19(25)24-11-9-20(14-24)8-5-10-21-13-20/h2-4,6-7,12,21H,5,8-11,13-14H2,1H3
InChIKeyQKSBRMMRTHDANZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.67
Rot. Bonds2

About 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone

2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone (PubChem CID 56742818) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
PubChem CID56742818
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
SMILESCc1nc(-c2ccccc2)ncc1C(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C20H24N4O/c1-15-17(12-22-18(23-15)16-6-3-2-4-7-16)19(25)24-11-9-20(14-24)8-5-10-21-13-20/h2-4,6-7,12,21H,5,8-11,13-14H2,1H3
InChIKeyQKSBRMMRTHDANZ-UHFFFAOYSA-N
XLogP2.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
CID 154890513
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
CID 56752764
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 154889705
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 99635559
(4-benzhydrylpiperazin-1-yl)-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 100753052
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 102849821
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone (CID 56742818) is 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone is Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
The InChIKey is QKSBRMMRTHDANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-17(12-22-18(23-15)16-6-3-2-4-7-16)19(25)24-11-9-20(14-24)8-5-10-21-13-20/h2-4,6-7,12,21H,5,8-11,13-14H2,1H3.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone?
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56742818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).