2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine

C20H24N4O2 — CID 112933291

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(-c2ccccc2)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H24N4O2/c1-2-10-21-18-15-17(16-6-4-3-5-7-16)22-19(23-18)24-11-8-20(9-12-24)25-13-14-26-20/h2-7,15H,1,8-14H2,(H,21,22,23)
InChIKeyFKQMNNKHBQINBQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.08
Rot. Bonds5

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 112933291) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine
PubChem CID112933291
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(-c2ccccc2)nc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H24N4O2/c1-2-10-21-18-15-17(16-6-4-3-5-7-16)22-19(23-18)24-11-8-20(9-12-24)25-13-14-26-20/h2-7,15H,1,8-14H2,(H,21,22,23)
InChIKeyFKQMNNKHBQINBQ-UHFFFAOYSA-N
XLogP3.08
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine (CID 112933291) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(-c2ccccc2)nc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is FKQMNNKHBQINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-10-21-18-15-17(16-6-4-3-5-7-16)22-19(23-18)24-11-8-20(9-12-24)25-13-14-26-20/h2-7,15H,1,8-14H2,(H,21,22,23).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 112933291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).