4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C13H18N4O3 — CID 118740971

IUPAC4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCN1CC2(COCCN(c3ncccn3)C2)OCC1=O
InChIInChI=1S/C13H18N4O3/c1-16-8-13(20-7-11(16)18)9-17(5-6-19-10-13)12-14-3-2-4-15-12/h2-4H,5-10H2,1H3
InChIKeyTVEALXYDUJYCEX-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.46
Rot. Bonds1

About 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118740971) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118740971
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCN1CC2(COCCN(c3ncccn3)C2)OCC1=O
InChIInChI=1S/C13H18N4O3/c1-16-8-13(20-7-11(16)18)9-17(5-6-19-10-13)12-14-3-2-4-15-12/h2-4H,5-10H2,1H3
InChIKeyTVEALXYDUJYCEX-UHFFFAOYSA-N
XLogP-0.46
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118740971) is 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is CN1CC2(COCCN(c3ncccn3)C2)OCC1=O.
What is the InChIKey of 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is TVEALXYDUJYCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16-8-13(20-7-11(16)18)9-17(5-6-19-10-13)12-14-3-2-4-15-12/h2-4H,5-10H2,1H3.
What are the key properties of 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 278.31 g/mol, XLogP of -0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118740971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).