(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide

C20H21N5O2 — CID 52683223

IUPAC(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C\c1cnc(N2CCOCC2)nc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N5O2/c21-13-18(19(26)22-7-6-16-4-2-1-3-5-16)12-17-14-23-20(24-15-17)25-8-10-27-11-9-25/h1-5,12,14-15H,6-11H2,(H,22,26)/b18-12+
InChIKeyKZCPRHHDIHIDHZ-LDADJPATSA-N
MW363.42 g/mol
LogP1.58
Rot. Bonds6

About (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide

(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 52683223) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID52683223
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide
SMILESN#C/C(=C\c1cnc(N2CCOCC2)nc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H21N5O2/c21-13-18(19(26)22-7-6-16-4-2-1-3-5-16)12-17-14-23-20(24-15-17)25-8-10-27-11-9-25/h1-5,12,14-15H,6-11H2,(H,22,26)/b18-12+
InChIKeyKZCPRHHDIHIDHZ-LDADJPATSA-N
XLogP1.58
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide 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 (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide (CID 52683223) is (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide is N#C/C(=C\c1cnc(N2CCOCC2)nc1)C(=O)NCCc1ccccc1.
What is the InChIKey of (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is KZCPRHHDIHIDHZ-LDADJPATSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-13-18(19(26)22-7-6-16-4-2-1-3-5-16)12-17-14-23-20(24-15-17)25-8-10-27-11-9-25/h1-5,12,14-15H,6-11H2,(H,22,26)/b18-12+.
What are the key properties of (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide?
(E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-morpholin-4-ylpyrimidin-5-yl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 52683223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).