7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

C14H21N3O — CID 71969218

IUPAC7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCc1nc(C)c(C)c(N2CCC3(CCOC3)C2)n1
InChIInChI=1S/C14H21N3O/c1-10-11(2)15-12(3)16-13(10)17-6-4-14(8-17)5-7-18-9-14/h4-9H2,1-3H3
InChIKeyMFZXHGNGWMJJSX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.02
Rot. Bonds1

About 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane

7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 71969218) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
PubChem CID71969218
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
SMILESCc1nc(C)c(C)c(N2CCC3(CCOC3)C2)n1
InChIInChI=1S/C14H21N3O/c1-10-11(2)15-12(3)16-13(10)17-6-4-14(8-17)5-7-18-9-14/h4-9H2,1-3H3
InChIKeyMFZXHGNGWMJJSX-UHFFFAOYSA-N
XLogP2.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-7-(2,5,6-trimethylpyrimidin-4-YL)-2,7-diazaspiro[4.4]nonane
CID 72859330
(1-{[Methyl(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72893328
2-(2-Ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane
CID 126827005
(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane
CID 164630642
(4R)-2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 164634257
5-fluoro-N,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987826
N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987827
5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)-N-propylpyrimidin-4-amine
CID 113362259
[2-(5-Fluoro-2,6-dimethylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanamine
CID 137888483
4-[3-Fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
CID 171992582
5,6-dimethyl-2-pyrrolidin-1-yl-N-[2-(tetrahydrofuran-3-yl)ethyl]pyrimidin-4-amine
CID 50948161
N,N,5,6-tetramethyl-2-(3-pyrrolidin-1-ylpropoxy)pyrimidin-4-amine
CID 91509680

Frequently Asked Questions

What is the IUPAC name of 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane (CID 71969218) is 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is Cc1nc(C)c(C)c(N2CCC3(CCOC3)C2)n1.
What is the InChIKey of 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is MFZXHGNGWMJJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-11(2)15-12(3)16-13(10)17-6-4-14(8-17)5-7-18-9-14/h4-9H2,1-3H3.
What are the key properties of 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane?
7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 247.34 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5,6-trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 71969218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).