9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one

C17H25FN4O3 — CID 131681494

IUPAC9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1cc(OC)nc(N2CCCC3(CCC(=O)N3CCF)CC2)n1
InChIInChI=1S/C17H25FN4O3/c1-24-13-12-14(25-2)20-16(19-13)21-9-3-5-17(7-10-21)6-4-15(23)22(17)11-8-18/h12H,3-11H2,1-2H3
InChIKeyHIHOVZFZSYZTTC-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.81
Rot. Bonds5

About 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one

9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681494) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681494
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1cc(OC)nc(N2CCCC3(CCC(=O)N3CCF)CC2)n1
InChIInChI=1S/C17H25FN4O3/c1-24-13-12-14(25-2)20-16(19-13)21-9-3-5-17(7-10-21)6-4-15(23)22(17)11-8-18/h12H,3-11H2,1-2H3
InChIKeyHIHOVZFZSYZTTC-UHFFFAOYSA-N
XLogP1.81
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131681494) is 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one is COc1cc(OC)nc(N2CCCC3(CCC(=O)N3CCF)CC2)n1.
What is the InChIKey of 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is HIHOVZFZSYZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-24-13-12-14(25-2)20-16(19-13)21-9-3-5-17(7-10-21)6-4-15(23)22(17)11-8-18/h12H,3-11H2,1-2H3.
What are the key properties of 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 352.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-dimethoxypyrimidin-2-yl)-1-(2-fluoroethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).