N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide

C26H22N4O2 — CID 542139

IUPACN-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H22N4O2/c1-17(31)27-22-12-8-19(9-13-22)24-16-25(20-10-14-23(15-11-20)28-18(2)32)30-26(29-24)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,31)(H,28,32)
InChIKeyBRCIWKRQRFYEGQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.39
Rot. Bonds5

About N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide

N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide (PubChem CID 542139) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide
PubChem CID542139
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H22N4O2/c1-17(31)27-22-12-8-19(9-13-22)24-16-25(20-10-14-23(15-11-20)28-18(2)32)30-26(29-24)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,31)(H,28,32)
InChIKeyBRCIWKRQRFYEGQ-UHFFFAOYSA-N
XLogP5.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Luf-5735
CID 11392960
4-Amino-2,6-diphenylpyrimidine
CID 619020
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide (CID 542139) is N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide?
The InChIKey is BRCIWKRQRFYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17(31)27-22-12-8-19(9-13-22)24-16-25(20-10-14-23(15-11-20)28-18(2)32)30-26(29-24)21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide?
N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-acetamidophenyl)-2-phenylpyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 542139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).