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

C20H18N4O2 — CID 540833

IUPACN-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(-c3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C20H18N4O2/c1-13(25)22-17-7-3-15(4-8-17)19-11-12-21-20(24-19)16-5-9-18(10-6-16)23-14(2)26/h3-12H,1-2H3,(H,22,25)(H,23,26)
InChIKeySXGAJAPFZZVVFL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.73
Rot. Bonds4

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

N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 540833) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide
PubChem CID540833
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(-c3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C20H18N4O2/c1-13(25)22-17-7-3-15(4-8-17)19-11-12-21-20(24-19)16-5-9-18(10-6-16)23-14(2)26/h3-12H,1-2H3,(H,22,25)(H,23,26)
InChIKeySXGAJAPFZZVVFL-UHFFFAOYSA-N
XLogP3.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide (CID 540833) is N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(-c3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is SXGAJAPFZZVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(25)22-17-7-3-15(4-8-17)19-11-12-21-20(24-19)16-5-9-18(10-6-16)23-14(2)26/h3-12H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide?
N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetamidophenyl)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 540833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).