2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone

C17H27N5O2 — CID 97399494

IUPAC2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C17H27N5O2/c1-20(2)12-15(23)21-8-4-17(5-9-21)13-22(10-11-24-14-17)16-18-6-3-7-19-16/h3,6-7H,4-5,8-14H2,1-2H3
InChIKeyAQUXSGKVOHLEES-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.48
Rot. Bonds3

About 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone

2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone (PubChem CID 97399494) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone
PubChem CID97399494
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone
SMILESCN(C)CC(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C17H27N5O2/c1-20(2)12-15(23)21-8-4-17(5-9-21)13-22(10-11-24-14-17)16-18-6-3-7-19-16/h3,6-7H,4-5,8-14H2,1-2H3
InChIKeyAQUXSGKVOHLEES-UHFFFAOYSA-N
XLogP0.48
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone with MolForge

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Related Compounds

2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
2-Methoxy-1-(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235149
2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3235433
3-Hydroxy-1-(2-methoxyethyl)-3-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]piperidin-2-one
CID 56750330
2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
CID 97399410
N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
CID 97399487
3-[(1-Methylimidazol-2-yl)methyl]-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399490
2-(2-Methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449740
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
Oxan-4-yl-[6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118740088
2-Methyl-1-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)propan-1-one
CID 118740967

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone (CID 97399494) is 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone is CN(C)CC(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2.
What is the InChIKey of 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone?
The InChIKey is AQUXSGKVOHLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)12-15(23)21-8-4-17(5-9-21)13-22(10-11-24-14-17)16-18-6-3-7-19-16/h3,6-7H,4-5,8-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone?
2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)ethanone is sourced from PubChem (CID 97399494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).