8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane

C16H25N3O — CID 56873308

IUPAC8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCCc1cnc(C)nc1N1CCC2(CCCO2)CC1
InChIInChI=1S/C16H25N3O/c1-3-5-14-12-17-13(2)18-15(14)19-9-7-16(8-10-19)6-4-11-20-16/h12H,3-11H2,1-2H3
InChIKeyIIPXTIMRHLVHND-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.89
Rot. Bonds3

About 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane

8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 56873308) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID56873308
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCCc1cnc(C)nc1N1CCC2(CCCO2)CC1
InChIInChI=1S/C16H25N3O/c1-3-5-14-12-17-13(2)18-15(14)19-9-7-16(8-10-19)6-4-11-20-16/h12H,3-11H2,1-2H3
InChIKeyIIPXTIMRHLVHND-UHFFFAOYSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane (CID 56873308) is 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane is CCCc1cnc(C)nc1N1CCC2(CCCO2)CC1.
What is the InChIKey of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is IIPXTIMRHLVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-5-14-12-17-13(2)18-15(14)19-9-7-16(8-10-19)6-4-11-20-16/h12H,3-11H2,1-2H3.
What are the key properties of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 275.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 56873308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).