2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one

C17H24FN5O — CID 131653923

IUPAC2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)C12CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H24FN5O/c1-4-6-22-8-9-23(13(2)3)15(24)17(22)5-7-21(12-17)16-19-10-14(18)11-20-16/h4,10-11,13H,1,5-9,12H2,2-3H3
InChIKeyPOHZRNPJYGIGSF-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.30
Rot. Bonds4

About 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one

2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 131653923) has the molecular formula C17H24FN5O and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID131653923
Molecular FormulaC17H24FN5O
Molecular Weight333.41 g/mol
Exact Mass333.20
IUPAC Name2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C(C)C)C(=O)C12CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H24FN5O/c1-4-6-22-8-9-23(13(2)3)15(24)17(22)5-7-21(12-17)16-19-10-14(18)11-20-16/h4,10-11,13H,1,5-9,12H2,2-3H3
InChIKeyPOHZRNPJYGIGSF-UHFFFAOYSA-N
XLogP1.30
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (CID 131653923) is 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C(C)C)C(=O)C12CCN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is POHZRNPJYGIGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O/c1-4-6-22-8-9-23(13(2)3)15(24)17(22)5-7-21(12-17)16-19-10-14(18)11-20-16/h4,10-11,13H,1,5-9,12H2,2-3H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 333.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-9-propan-2-yl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131653923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).