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

C15H20FN5O — CID 131638423

IUPAC2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C)C(=O)C12CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H20FN5O/c1-3-5-21-8-7-19(2)13(22)15(21)4-6-20(11-15)14-17-9-12(16)10-18-14/h3,9-10H,1,4-8,11H2,2H3
InChIKeyKMHBNUPUXPOHDN-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.52
Rot. Bonds3

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

2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (PubChem CID 131638423) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
PubChem CID131638423
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one
SMILESC=CCN1CCN(C)C(=O)C12CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H20FN5O/c1-3-5-21-8-7-19(2)13(22)15(21)4-6-20(11-15)14-17-9-12(16)10-18-14/h3,9-10H,1,4-8,11H2,2H3
InChIKeyKMHBNUPUXPOHDN-UHFFFAOYSA-N
XLogP0.52
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.52
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-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one (CID 131638423) is 2-(5-fluoropyrimidin-2-yl)-9-methyl-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-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is C=CCN1CCN(C)C(=O)C12CCN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
The InChIKey is KMHBNUPUXPOHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-3-5-21-8-7-19(2)13(22)15(21)4-6-20(11-15)14-17-9-12(16)10-18-14/h3,9-10H,1,4-8,11H2,2H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one?
2-(5-fluoropyrimidin-2-yl)-9-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one has a molecular weight of 305.36 g/mol, XLogP of 0.52, 3 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-methyl-6-prop-2-enyl-2,6,9-triazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131638423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).