7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane

C12H17N3O — CID 123222360

IUPAC7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCc1ccnc(N2CCC3(CCCO3)C2)n1
InChIInChI=1S/C12H17N3O/c1-10-3-6-13-11(14-10)15-7-5-12(9-15)4-2-8-16-12/h3,6H,2,4-5,7-9H2,1H3
InChIKeyVSUWOOGUGKRDKZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.54
Rot. Bonds1

About 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane

7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 123222360) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID123222360
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCc1ccnc(N2CCC3(CCCO3)C2)n1
InChIInChI=1S/C12H17N3O/c1-10-3-6-13-11(14-10)15-7-5-12(9-15)4-2-8-16-12/h3,6H,2,4-5,7-9H2,1H3
InChIKeyVSUWOOGUGKRDKZ-UHFFFAOYSA-N
XLogP1.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432365
4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
CID 86802449
4-cyclopentyl-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 95401343
(5S)-7-(4-methylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97597976
2-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97607801
N,N-dimethyl-4-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 97859588
8-(Methoxymethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 177009414
N,N-bis(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 71940033
N-[(2-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 80189749
N,N-bis[[(2S)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97018368
N-[[(2S)-oxolan-2-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97018369
N,N-bis[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97018370

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane (CID 123222360) is 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane is Cc1ccnc(N2CCC3(CCCO3)C2)n1.
What is the InChIKey of 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is VSUWOOGUGKRDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-3-6-13-11(14-10)15-7-5-12(9-15)4-2-8-16-12/h3,6H,2,4-5,7-9H2,1H3.
What are the key properties of 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane?
7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 219.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 123222360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).