8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H22N4O2 — CID 50977371

IUPAC8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C15H22N4O2/c1-3-4-12-9-16-11(2)18-13(12)19-7-5-15(6-8-19)10-17-14(20)21-15/h9H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyIWDIIYLOKBQILN-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.82
Rot. Bonds3

About 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 50977371) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID50977371
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C15H22N4O2/c1-3-4-12-9-16-11(2)18-13(12)19-7-5-15(6-8-19)10-17-14(20)21-15/h9H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyIWDIIYLOKBQILN-UHFFFAOYSA-N
XLogP1.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 50977371) is 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCc1cnc(C)nc1N1CCC2(CC1)CNC(=O)O2.
What is the InChIKey of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IWDIIYLOKBQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-4-12-9-16-11(2)18-13(12)19-7-5-15(6-8-19)10-17-14(20)21-15/h9H,3-8,10H2,1-2H3,(H,17,20).
What are the key properties of 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-5-propylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 50977371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).