9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

C14H21N3O2 — CID 133479181

IUPAC9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1nc(C)c(C)c(N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10-11(2)15-12(3)16-13(10)17-5-7-19-14(8-17)4-6-18-9-14/h4-9H2,1-3H3
InChIKeyVMLJICAKHWYZIF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.40
Rot. Bonds1

About 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133479181) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133479181
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1nc(C)c(C)c(N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C14H21N3O2/c1-10-11(2)15-12(3)16-13(10)17-5-7-19-14(8-17)4-6-18-9-14/h4-9H2,1-3H3
InChIKeyVMLJICAKHWYZIF-UHFFFAOYSA-N
XLogP1.40
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493818
9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479114
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile
CID 133479070
4-bromo-5-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methylpyridazin-3-one
CID 127891029
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493950
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
4-acetyl-3-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)benzonitrile
CID 133479112
9-(4-methyl-5-nitro-2-pyridinyl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479080
4-(2-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane;dihydrochloride
CID 154921209
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479287

Frequently Asked Questions

What is the IUPAC name of 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (CID 133479181) is 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is Cc1nc(C)c(C)c(N2CCOC3(CCOC3)C2)n1.
What is the InChIKey of 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is VMLJICAKHWYZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-11(2)15-12(3)16-13(10)17-5-7-19-14(8-17)4-6-18-9-14/h4-9H2,1-3H3.
What are the key properties of 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 263.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133479181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).