2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide

C28H28N4O2 — CID 25218717

IUPAC2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C28H28N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3-17,20H,2,18-19,21H2,1H3,(H,29,33)
InChIKeyJQMJIQDOJHINRD-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.98
Rot. Bonds10

About 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide

2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide (PubChem CID 25218717) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide
PubChem CID25218717
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C28H28N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3-17,20H,2,18-19,21H2,1H3,(H,29,33)
InChIKeyJQMJIQDOJHINRD-UHFFFAOYSA-N
XLogP4.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide 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

Tfc007
CID 16040067
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
HCAR2 agonist 1
CID 25101223
2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218698
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 10
CID 57340657
Pyrrolo-pyrimidone, 17
CID 135524085
Cdk7-IN-25
CID 122550796
2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 11478504
2-(benzylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218700
2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218701

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide (CID 25218717) is 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide?
The InChIKey is JQMJIQDOJHINRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3-17,20H,2,18-19,21H2,1H3,(H,29,33).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide?
2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 25218717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).