N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide

C22H24N4O — CID 91638983

IUPACN-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide
SMILESCc1cc(C)nc(NC(Cc2ccccc2)C(=O)NCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16-13-17(2)25-22(24-16)26-20(14-18-9-5-3-6-10-18)21(27)23-15-19-11-7-4-8-12-19/h3-13,20H,14-15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVNLJNDBEEQKUOU-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.43
Rot. Bonds7

About N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide

N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide (PubChem CID 91638983) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide
PubChem CID91638983
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide
SMILESCc1cc(C)nc(NC(Cc2ccccc2)C(=O)NCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16-13-17(2)25-22(24-16)26-20(14-18-9-5-3-6-10-18)21(27)23-15-19-11-7-4-8-12-19/h3-13,20H,14-15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVNLJNDBEEQKUOU-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 91639743
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 91639581
(2S)-2-[[6-methyl-2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 44528066
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-benzyl-3-phenylpropanamide
CID 136517935
N-[(3-chlorophenyl)methyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-methylsulfanylbutanamide
CID 91640187
4,6-dimethyl-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 63011106
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)thiourea
CID 19678097
6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553898
(2R)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2-fluorophenyl)methyl]-4-methylsulfanylbutanamide
CID 97263701
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide?
The IUPAC name of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide (CID 91638983) is N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide?
The canonical SMILES for N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide is Cc1cc(C)nc(NC(Cc2ccccc2)C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide?
The InChIKey is VNLJNDBEEQKUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-13-17(2)25-22(24-16)26-20(14-18-9-5-3-6-10-18)21(27)23-15-19-11-7-4-8-12-19/h3-13,20H,14-15H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide?
N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide has a molecular weight of 360.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 91638983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).