4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide

C24H30N6O2 — CID 122315371

IUPAC4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCNc2cc(Nc3cc(C)ccn3)nc(C)n2)cc1
InChIInChI=1S/C24H30N6O2/c1-4-5-14-32-20-8-6-19(7-9-20)24(31)27-13-12-26-22-16-23(29-18(3)28-22)30-21-15-17(2)10-11-25-21/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,27,31)(H2,25,26,28,29,30)
InChIKeyVNEOQBLGIVQYPP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.25
Rot. Bonds11

About 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide

4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide (PubChem CID 122315371) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
PubChem CID122315371
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCNc2cc(Nc3cc(C)ccn3)nc(C)n2)cc1
InChIInChI=1S/C24H30N6O2/c1-4-5-14-32-20-8-6-19(7-9-20)24(31)27-13-12-26-22-16-23(29-18(3)28-22)30-21-15-17(2)10-11-25-21/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,27,31)(H2,25,26,28,29,30)
InChIKeyVNEOQBLGIVQYPP-UHFFFAOYSA-N
XLogP4.25
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide 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-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122288653
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-4-nitrobenzamide
CID 122315740
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]thiophene-3-carboxamide
CID 122315488
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
4-tert-butyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314519
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-phenoxyacetamide
CID 122315365
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]triazole-4-carboxamide
CID 122315557
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
1-methyl-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-2-oxopyridine-3-carboxamide
CID 122315497
2-(difluoromethylsulfanyl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315569
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide (CID 122315371) is 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCNc2cc(Nc3cc(C)ccn3)nc(C)n2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide?
The InChIKey is VNEOQBLGIVQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-4-5-14-32-20-8-6-19(7-9-20)24(31)27-13-12-26-22-16-23(29-18(3)28-22)30-21-15-17(2)10-11-25-21/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,27,31)(H2,25,26,28,29,30).
What are the key properties of 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide?
4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.25, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122315371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).