2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one

C17H26N4O2 — CID 118739023

IUPAC2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
SMILESCc1cnc(N2CCOC3(CCCN(C(=O)C(C)C)C3)C2)nc1
InChIInChI=1S/C17H26N4O2/c1-13(2)15(22)20-6-4-5-17(11-20)12-21(7-8-23-17)16-18-9-14(3)10-19-16/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyZUADPIDEYLKGQN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.64
Rot. Bonds2

About 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one

2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one (PubChem CID 118739023) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
PubChem CID118739023
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
SMILESCc1cnc(N2CCOC3(CCCN(C(=O)C(C)C)C3)C2)nc1
InChIInChI=1S/C17H26N4O2/c1-13(2)15(22)20-6-4-5-17(11-20)12-21(7-8-23-17)16-18-9-14(3)10-19-16/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyZUADPIDEYLKGQN-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one (CID 118739023) is 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one is Cc1cnc(N2CCOC3(CCCN(C(=O)C(C)C)C3)C2)nc1.
What is the InChIKey of 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?
The InChIKey is ZUADPIDEYLKGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)15(22)20-6-4-5-17(11-20)12-21(7-8-23-17)16-18-9-14(3)10-19-16/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?
2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one is sourced from PubChem (CID 118739023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).