N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide

C17H27N5O2 — CID 97492446

IUPACN,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
SMILESCc1cnc(N2CCO[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1
InChIInChI=1S/C17H27N5O2/c1-14-9-18-16(19-10-14)22-7-8-24-17(13-22)5-4-6-21(12-17)11-15(23)20(2)3/h9-10H,4-8,11-13H2,1-3H3/t17-/m1/s1
InChIKeySTLKENHRQGOGJI-QGZVFWFLSA-N
MW333.44 g/mol
LogP0.54
Rot. Bonds3

About N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide

N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide (PubChem CID 97492446) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
PubChem CID97492446
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
SMILESCc1cnc(N2CCO[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1
InChIInChI=1S/C17H27N5O2/c1-14-9-18-16(19-10-14)22-7-8-24-17(13-22)5-4-6-21(12-17)11-15(23)20(2)3/h9-10H,4-8,11-13H2,1-3H3/t17-/m1/s1
InChIKeySTLKENHRQGOGJI-QGZVFWFLSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482392
2-[(5S)-2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-9-yl]-N,N-dimethylacetamide
CID 97482395
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
1-[4-(5-chloropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-pyrrolidin-1-ylethanone
CID 131951201
8-(pyridin-2-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131643632
N,N-dimethyl-2-[2-(5-methyl-2-pyridinyl)morpholin-4-yl]acetamide
CID 110270826
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
(4S,5R)-4-(ethoxymethyl)-9-(5-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155831407
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492264
(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492263
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide (CID 97492446) is N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide is Cc1cnc(N2CCO[C@@]3(CCCN(CC(=O)N(C)C)C3)C2)nc1.
What is the InChIKey of N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The InChIKey is STLKENHRQGOGJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14-9-18-16(19-10-14)22-7-8-24-17(13-22)5-4-6-21(12-17)11-15(23)20(2)3/h9-10H,4-8,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide?
N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6R)-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide is sourced from PubChem (CID 97492446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).