N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

C25H30N6O4 — CID 22379042

IUPACN-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCNc2cc(NCCNC(C)=O)nc(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C25H30N6O4/c1-17(32)26-10-11-27-22-16-23(31-25(30-22)19-6-4-3-5-7-19)28-12-13-29-24(34)15-18-8-9-20(33)21(14-18)35-2/h3-9,14,16,33H,10-13,15H2,1-2H3,(H,26,32)(H,29,34)(H2,27,28,30,31)
InChIKeyIZSDQHNCPZLQMR-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.18
Rot. Bonds12

About N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 22379042) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID22379042
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCNc2cc(NCCNC(C)=O)nc(-c3ccccc3)n2)ccc1O
InChIInChI=1S/C25H30N6O4/c1-17(32)26-10-11-27-22-16-23(31-25(30-22)19-6-4-3-5-7-19)28-12-13-29-24(34)15-18-8-9-20(33)21(14-18)35-2/h3-9,14,16,33H,10-13,15H2,1-2H3,(H,26,32)(H,29,34)(H2,27,28,30,31)
InChIKeyIZSDQHNCPZLQMR-UHFFFAOYSA-N
XLogP2.18
TPSA137.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)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-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22378889
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-2-(4-methylphenyl)acetamide
CID 22353521
N-[2-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 22378999
N-[2-[[6-(2-acetamidoethylamino)-2-(4-chlorophenyl)pyrimidin-4-yl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 22353297
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl-[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propylazaniumyl]butyl]azanium
CID 71597495
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 144547616
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 22378844
(E)-N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 22379022
N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-N'-methyl-N'-(2-phenylethyl)oxamide
CID 22379172
6-N-butyl-4-N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112879734

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 22379042) is N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide is COc1cc(CC(=O)NCCNc2cc(NCCNC(C)=O)nc(-c3ccccc3)n2)ccc1O.
What is the InChIKey of N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is IZSDQHNCPZLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-17(32)26-10-11-27-22-16-23(31-25(30-22)19-6-4-3-5-7-19)28-12-13-29-24(34)15-18-8-9-20(33)21(14-18)35-2/h3-9,14,16,33H,10-13,15H2,1-2H3,(H,26,32)(H,29,34)(H2,27,28,30,31).
What are the key properties of N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 478.55 g/mol, XLogP of 2.18, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 22379042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).