5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine

C17H19N5 — CID 58073744

IUPAC5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCCC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C17H19N5/c1-2-15-14(7-5-13-6-8-16(18)19-11-13)17(21-12-20-15)22-9-3-4-10-22/h6,8,11-12H,2-4,9-10H2,1H3,(H2,18,19)
InChIKeyJNCSVWZNXIMWTH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.02
Rot. Bonds2

About 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine

5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine (PubChem CID 58073744) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine
PubChem CID58073744
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine
SMILESCCc1ncnc(N2CCCC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C17H19N5/c1-2-15-14(7-5-13-6-8-16(18)19-11-13)17(21-12-20-15)22-9-3-4-10-22/h6,8,11-12H,2-4,9-10H2,1H3,(H2,18,19)
InChIKeyJNCSVWZNXIMWTH-UHFFFAOYSA-N
XLogP2.02
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine (CID 58073744) is 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine is CCc1ncnc(N2CCCC2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine?
The InChIKey is JNCSVWZNXIMWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-15-14(7-5-13-6-8-16(18)19-11-13)17(21-12-20-15)22-9-3-4-10-22/h6,8,11-12H,2-4,9-10H2,1H3,(H2,18,19).
What are the key properties of 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine?
5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethyl-6-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]pyridin-2-amine is sourced from PubChem (CID 58073744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).