2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide

C24H37N3O3 — CID 130183205

IUPAC2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide
SMILESCOC(C)CCC(C)CNC(=O)CN1C(C)=NC(c2ccc(C)cc2C)=CC1OC
InChIInChI=1S/C24H37N3O3/c1-16-9-11-21(18(3)12-16)22-13-24(30-7)27(20(5)26-22)15-23(28)25-14-17(2)8-10-19(4)29-6/h9,11-13,17,19,24H,8,10,14-15H2,1-7H3,(H,25,28)
InChIKeySMCNPVWHTRYMJJ-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.92
Rot. Bonds10

About 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide

2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide (PubChem CID 130183205) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide
PubChem CID130183205
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide
SMILESCOC(C)CCC(C)CNC(=O)CN1C(C)=NC(c2ccc(C)cc2C)=CC1OC
InChIInChI=1S/C24H37N3O3/c1-16-9-11-21(18(3)12-16)22-13-24(30-7)27(20(5)26-22)15-23(28)25-14-17(2)8-10-19(4)29-6/h9,11-13,17,19,24H,8,10,14-15H2,1-7H3,(H,25,28)
InChIKeySMCNPVWHTRYMJJ-UHFFFAOYSA-N
XLogP3.92
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)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

2-[6-(2-amino-4-methylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-1-(3-methyl-3-nitrosoazetidin-1-yl)ethanone;methanol
CID 145024782
2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide
CID 145024715
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
5-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82010449
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
2-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylpropyl)acetamide
CID 7710352
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82009951
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide (CID 130183205) is 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide is COC(C)CCC(C)CNC(=O)CN1C(C)=NC(c2ccc(C)cc2C)=CC1OC.
What is the InChIKey of 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide?
The InChIKey is SMCNPVWHTRYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-16-9-11-21(18(3)12-16)22-13-24(30-7)27(20(5)26-22)15-23(28)25-14-17(2)8-10-19(4)29-6/h9,11-13,17,19,24H,8,10,14-15H2,1-7H3,(H,25,28).
What are the key properties of 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide?
2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide has a molecular weight of 415.58 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide is sourced from PubChem (CID 130183205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).