N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide

C21H24N4O2 — CID 66634840

IUPACN-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C21H24N4O2/c1-16(24-17(2)26)13-19-6-3-18(4-7-19)5-8-20-14-22-21(23-15-20)25-9-11-27-12-10-25/h3-4,6-7,14-16H,9-13H2,1-2H3,(H,24,26)
InChIKeyKJGCPVLPNMTAHO-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.78
Rot. Bonds4

About N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66634840) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66634840
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C21H24N4O2/c1-16(24-17(2)26)13-19-6-3-18(4-7-19)5-8-20-14-22-21(23-15-20)25-9-11-27-12-10-25/h3-4,6-7,14-16H,9-13H2,1-2H3,(H,24,26)
InChIKeyKJGCPVLPNMTAHO-UHFFFAOYSA-N
XLogP1.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimidin-2-yl-acetamide
CID 14330383
N-[4-[2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 24877439
N-[4-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 24877791
1-Ethyl-3-[4-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 49764911
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 53380858
Mutant IDH1-IN-2
CID 71515481
Mutant IDH1 inhibitor
CID 71542482
4,4-dimethyl-3-[2-[[(1S)-1-[4-[(4-prop-2-enoylpiperazin-1-yl)methyl]phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 132219770
2-morpholino-N-phenethylpyrimidin-4-amine
CID 46891060
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide (CID 66634840) is N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is KJGCPVLPNMTAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(24-17(2)26)13-19-6-3-18(4-7-19)5-8-20-14-22-21(23-15-20)25-9-11-27-12-10-25/h3-4,6-7,14-16H,9-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66634840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).