2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

C23H25N5O2 — CID 71070899

IUPAC2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESNc1ncc(-c2cccc(CC(=O)NCc3ccccc3N3CCOCC3)c2)cn1
InChIInChI=1S/C23H25N5O2/c24-23-26-15-20(16-27-23)18-6-3-4-17(12-18)13-22(29)25-14-19-5-1-2-7-21(19)28-8-10-30-11-9-28/h1-7,12,15-16H,8-11,13-14H2,(H,25,29)(H2,24,26,27)
InChIKeyLSNDVXUVYCCBHX-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.42
Rot. Bonds6

About 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 71070899) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID71070899
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESNc1ncc(-c2cccc(CC(=O)NCc3ccccc3N3CCOCC3)c2)cn1
InChIInChI=1S/C23H25N5O2/c24-23-26-15-20(16-27-23)18-6-3-4-17(12-18)13-22(29)25-14-19-5-1-2-7-21(19)28-8-10-30-11-9-28/h1-7,12,15-16H,8-11,13-14H2,(H,25,29)(H2,24,26,27)
InChIKeyLSNDVXUVYCCBHX-UHFFFAOYSA-N
XLogP2.42
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]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

3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71883592
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 10387041
1-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-3,3-dimethylbutan-2-one
CID 161430959
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111877253
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
1-(3-chlorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]urea
CID 47829113

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (CID 71070899) is 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is Nc1ncc(-c2cccc(CC(=O)NCc3ccccc3N3CCOCC3)c2)cn1.
What is the InChIKey of 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is LSNDVXUVYCCBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-23-26-15-20(16-27-23)18-6-3-4-17(12-18)13-22(29)25-14-19-5-1-2-7-21(19)28-8-10-30-11-9-28/h1-7,12,15-16H,8-11,13-14H2,(H,25,29)(H2,24,26,27).
What are the key properties of 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopyrimidin-5-yl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 71070899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).