9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane

C17H27N3O2 — CID 133493950

IUPAC9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC(C)c1cc(N2CCOC3(CCOC3)C2)nc(C(C)C)n1
InChIInChI=1S/C17H27N3O2/c1-12(2)14-9-15(19-16(18-14)13(3)4)20-6-8-22-17(10-20)5-7-21-11-17/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyCSAFHEIHJFWHOP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.72
Rot. Bonds3

About 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane

9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133493950) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133493950
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCC(C)c1cc(N2CCOC3(CCOC3)C2)nc(C(C)C)n1
InChIInChI=1S/C17H27N3O2/c1-12(2)14-9-15(19-16(18-14)13(3)4)20-6-8-22-17(10-20)5-7-21-11-17/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyCSAFHEIHJFWHOP-UHFFFAOYSA-N
XLogP2.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-3-oxa-9-azaspiro[5.5]undecane
CID 131963146
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
9-(4-methyl-5-nitro-2-pyridinyl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479080
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479181
9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
8-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1-oxa-8-azaspiro[4.5]decane
CID 56880549
2-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 133365049
(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129339901
7-(2-amino-6-propan-2-ylpyrimidin-4-yl)-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 72859767
9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479114
4-(6,7-difluoroquinoxalin-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 122137996

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane (CID 133493950) is 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane is CC(C)c1cc(N2CCOC3(CCOC3)C2)nc(C(C)C)n1.
What is the InChIKey of 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is CSAFHEIHJFWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)14-9-15(19-16(18-14)13(3)4)20-6-8-22-17(10-20)5-7-21-11-17/h9,12-13H,5-8,10-11H2,1-4H3.
What are the key properties of 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane?
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 305.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133493950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).