2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide

C23H33N5O2 — CID 86764695

IUPAC2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CC)CC)n3)C2)cc1
InChIInChI=1S/C23H33N5O2/c1-5-24-22(29)17(4)18-8-10-19(11-9-18)30-20-13-15-28(16-20)21-12-14-25-23(26-21)27(6-2)7-3/h8-12,14,17,20H,5-7,13,15-16H2,1-4H3,(H,24,29)/t17?,20-/m1/s1
InChIKeyKTLVKQXRFOARTH-UUSAFJCLSA-N
MW411.55 g/mol
LogP3.22
Rot. Bonds9

About 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide

2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide (PubChem CID 86764695) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
PubChem CID86764695
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CC)CC)n3)C2)cc1
InChIInChI=1S/C23H33N5O2/c1-5-24-22(29)17(4)18-8-10-19(11-9-18)30-20-13-15-28(16-20)21-12-14-25-23(26-21)27(6-2)7-3/h8-12,14,17,20H,5-7,13,15-16H2,1-4H3,(H,24,29)/t17?,20-/m1/s1
InChIKeyKTLVKQXRFOARTH-UUSAFJCLSA-N
XLogP3.22
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide 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-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The IUPAC name of 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide (CID 86764695) is 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide is CCNC(=O)C(C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CC)CC)n3)C2)cc1.
What is the InChIKey of 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The InChIKey is KTLVKQXRFOARTH-UUSAFJCLSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-5-24-22(29)17(4)18-8-10-19(11-9-18)30-20-13-15-28(16-20)21-12-14-25-23(26-21)27(6-2)7-3/h8-12,14,17,20H,5-7,13,15-16H2,1-4H3,(H,24,29)/t17?,20-/m1/s1.
What are the key properties of 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide has a molecular weight of 411.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-1-[2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide is sourced from PubChem (CID 86764695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).