5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine

C21H25N5O2 — CID 58073654

IUPAC5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C21H25N5O2/c1-2-18-17(6-4-16-5-7-19(22)23-14-16)20(25-15-24-18)26-10-8-21(9-11-26)27-12-3-13-28-21/h5,7,14-15H,2-3,8-13H2,1H3,(H2,22,23)
InChIKeyDDIOENFLNURESC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.15
Rot. Bonds2

About 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073654) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073654
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C21H25N5O2/c1-2-18-17(6-4-16-5-7-19(22)23-14-16)20(25-15-24-18)26-10-8-21(9-11-26)27-12-3-13-28-21/h5,7,14-15H,2-3,8-13H2,1H3,(H2,22,23)
InChIKeyDDIOENFLNURESC-UHFFFAOYSA-N
XLogP2.15
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073654) is 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is DDIOENFLNURESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-18-17(6-4-16-5-7-19(22)23-14-16)20(25-15-24-18)26-10-8-21(9-11-26)27-12-3-13-28-21/h5,7,14-15H,2-3,8-13H2,1H3,(H2,22,23).
What are the key properties of 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 379.46 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).