N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide

C20H20N4O — CID 166216340

IUPACN-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(Cc3ccccc3)n2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-12-17(8-9-18(14)22-15(2)25)23-19-10-11-21-20(24-19)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyHRKRZMHGQPGGQK-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.08
Rot. Bonds5

About N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide

N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide (PubChem CID 166216340) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide
PubChem CID166216340
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(Cc3ccccc3)n2)cc1C
InChIInChI=1S/C20H20N4O/c1-14-12-17(8-9-18(14)22-15(2)25)23-19-10-11-21-20(24-19)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyHRKRZMHGQPGGQK-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
CID 160584950
N-[2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 10110761
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 133442537
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
2-methyl-5-[(2-methylpyrimidin-4-yl)amino]benzoic acid
CID 63653352
N-[2-[(3-isocyanophenyl)methyl]pyrimidin-4-yl]-2-methyl-3H-benzimidazol-5-amine
CID 160845167
N-(2-ethylpyrimidin-4-yl)acetamide
CID 67743476
ethyl 2-[[2-(3,4-dimethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112902600
2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 133442254
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N-(4-acetamido-3-methylphenyl)-2-bromopyridine-3-carboxamide
CID 103754215

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide (CID 166216340) is N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide is CC(=O)Nc1ccc(Nc2ccnc(Cc3ccccc3)n2)cc1C.
What is the InChIKey of N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide?
The InChIKey is HRKRZMHGQPGGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-12-17(8-9-18(14)22-15(2)25)23-19-10-11-21-20(24-19)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide?
N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-benzylpyrimidin-4-yl)amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 166216340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).