2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide

C16H24FN5O3 — CID 118744487

IUPAC2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCC2(C1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C16H24FN5O3/c1-20(2)14(23)9-21-3-5-24-12-16(10-21)11-22(4-6-25-16)15-18-7-13(17)8-19-15/h7-8H,3-6,9-12H2,1-2H3
InChIKeyVNEVGCDQICFOHI-UHFFFAOYSA-N
MW353.40 g/mol
LogP-0.39
Rot. Bonds3

About 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide

2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide (PubChem CID 118744487) has the molecular formula C16H24FN5O3 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
PubChem CID118744487
Molecular FormulaC16H24FN5O3
Molecular Weight353.40 g/mol
Exact Mass353.19
IUPAC Name2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCC2(C1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C16H24FN5O3/c1-20(2)14(23)9-21-3-5-24-12-16(10-21)11-22(4-6-25-16)15-18-7-13(17)8-19-15/h7-8H,3-6,9-12H2,1-2H3
InChIKeyVNEVGCDQICFOHI-UHFFFAOYSA-N
XLogP-0.39
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide (CID 118744487) is 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCOCC2(C1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
The InChIKey is VNEVGCDQICFOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O3/c1-20(2)14(23)9-21-3-5-24-12-16(10-21)11-22(4-6-25-16)15-18-7-13(17)8-19-15/h7-8H,3-6,9-12H2,1-2H3.
What are the key properties of 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide?
2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide has a molecular weight of 353.40 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118744487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).