9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

C16H23FN4O2 — CID 118739626

IUPAC9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H23FN4O2/c1-23-10-9-21-14(22)3-5-16(21)4-2-7-20(8-6-16)15-18-11-13(17)12-19-15/h11-12H,2-10H2,1H3
InChIKeyUGRCESYVVAMMLI-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.61
Rot. Bonds4

About 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one

9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 118739626) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID118739626
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCCN1C(=O)CCC12CCCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C16H23FN4O2/c1-23-10-9-21-14(22)3-5-16(21)4-2-7-20(8-6-16)15-18-11-13(17)12-19-15/h11-12H,2-10H2,1H3
InChIKeyUGRCESYVVAMMLI-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 118739626) is 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is COCCN1C(=O)CCC12CCCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UGRCESYVVAMMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-23-10-9-21-14(22)3-5-16(21)4-2-7-20(8-6-16)15-18-11-13(17)12-19-15/h11-12H,2-10H2,1H3.
What are the key properties of 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 118739626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).