2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine

C15H19N5O2 — CID 163348119

IUPAC2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
SMILESCCc1cnc(N2CCC(Oc3ncc(OC)cn3)C2)nc1
InChIInChI=1S/C15H19N5O2/c1-3-11-6-16-14(17-7-11)20-5-4-12(10-20)22-15-18-8-13(21-2)9-19-15/h6-9,12H,3-5,10H2,1-2H3
InChIKeyIUIAJFUHMWKQQZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.50
Rot. Bonds5

About 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine

2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 163348119) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID163348119
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
SMILESCCc1cnc(N2CCC(Oc3ncc(OC)cn3)C2)nc1
InChIInChI=1S/C15H19N5O2/c1-3-11-6-16-14(17-7-11)20-5-4-12(10-20)22-15-18-8-13(21-2)9-19-15/h6-9,12H,3-5,10H2,1-2H3
InChIKeyIUIAJFUHMWKQQZ-UHFFFAOYSA-N
XLogP1.50
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine (CID 163348119) is 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine is CCc1cnc(N2CCC(Oc3ncc(OC)cn3)C2)nc1.
What is the InChIKey of 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is IUIAJFUHMWKQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-11-6-16-14(17-7-11)20-5-4-12(10-20)22-15-18-8-13(21-2)9-19-15/h6-9,12H,3-5,10H2,1-2H3.
What are the key properties of 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 301.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 163348119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).