5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine

C20H23N5O2 — CID 58073717

IUPAC5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H23N5O2/c1-2-17-16(5-3-15-4-6-18(21)22-13-15)19(24-14-23-17)25-9-7-20(8-10-25)26-11-12-27-20/h4,6,13-14H,2,7-12H2,1H3,(H2,21,22)
InChIKeyPYUQJEKKWDCSKY-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.76
Rot. Bonds2

About 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine

5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine (PubChem CID 58073717) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
PubChem CID58073717
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H23N5O2/c1-2-17-16(5-3-15-4-6-18(21)22-13-15)19(24-14-23-17)25-9-7-20(8-10-25)26-11-12-27-20/h4,6,13-14H,2,7-12H2,1H3,(H2,21,22)
InChIKeyPYUQJEKKWDCSKY-UHFFFAOYSA-N
XLogP1.76
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine (CID 58073717) is 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine is CCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
The InChIKey is PYUQJEKKWDCSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-17-16(5-3-15-4-6-18(21)22-13-15)19(24-14-23-17)25-9-7-20(8-10-25)26-11-12-27-20/h4,6,13-14H,2,7-12H2,1H3,(H2,21,22).
What are the key properties of 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine?
5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).