[9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone

C21H27N5O2 — CID 138048775

IUPAC[9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1cc(N2CCC3(CC2)CN(C(=O)c2cccnc2C)CCO3)nc(C)n1
InChIInChI=1S/C21H27N5O2/c1-15-13-19(24-17(3)23-15)25-9-6-21(7-10-25)14-26(11-12-28-21)20(27)18-5-4-8-22-16(18)2/h4-5,8,13H,6-7,9-12,14H2,1-3H3
InChIKeyPYMGSMSGGDHBJG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.31
Rot. Bonds2

About [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone

[9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 138048775) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID138048775
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1cc(N2CCC3(CC2)CN(C(=O)c2cccnc2C)CCO3)nc(C)n1
InChIInChI=1S/C21H27N5O2/c1-15-13-19(24-17(3)23-15)25-9-6-21(7-10-25)14-26(11-12-28-21)20(27)18-5-4-8-22-16(18)2/h4-5,8,13H,6-7,9-12,14H2,1-3H3
InChIKeyPYMGSMSGGDHBJG-UHFFFAOYSA-N
XLogP2.31
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[9-(2-ethyl-6-methylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-phenylethanone
CID 131913030
[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56817325
(2,2-dimethylmorpholin-4-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56813848
(3-methyl-1,2-oxazol-4-yl)-[(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 97398265
(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-[2-(3-methylphenyl)phenyl]methanone
CID 138385530
8-[2-methyl-6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 167743997
1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258
(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 70742301
pyridin-3-yl-(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844882
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
acetic acid;2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 154921869

Frequently Asked Questions

What is the IUPAC name of [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone (CID 138048775) is [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone is Cc1cc(N2CCC3(CC2)CN(C(=O)c2cccnc2C)CCO3)nc(C)n1.
What is the InChIKey of [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is PYMGSMSGGDHBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-13-19(24-17(3)23-15)25-9-6-21(7-10-25)14-26(11-12-28-21)20(27)18-5-4-8-22-16(18)2/h4-5,8,13H,6-7,9-12,14H2,1-3H3.
What are the key properties of [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone?
[9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone has a molecular weight of 381.48 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2,6-dimethylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 138048775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).