N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide

C18H16N4O — CID 56850604

IUPACN,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide
SMILESO=C(CNc1ncccn1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N4O/c23-17(14-21-18-19-12-7-13-20-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,19,20,21)
InChIKeyCGWCQWASCLMKMY-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.25
Rot. Bonds5

About N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide

N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide (PubChem CID 56850604) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide.

Molecular Properties

Compound NameN,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide
PubChem CID56850604
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide
SMILESO=C(CNc1ncccn1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N4O/c23-17(14-21-18-19-12-7-13-20-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,19,20,21)
InChIKeyCGWCQWASCLMKMY-UHFFFAOYSA-N
XLogP3.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide?
The IUPAC name of N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide (CID 56850604) is N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide.
What is the SMILES notation for N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide?
The canonical SMILES for N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide is O=C(CNc1ncccn1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide?
The InChIKey is CGWCQWASCLMKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-17(14-21-18-19-12-7-13-20-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13H,14H2,(H,19,20,21).
What are the key properties of N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide?
N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide has a molecular weight of 304.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide is sourced from PubChem (CID 56850604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).