N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide

C21H21N3O2 — CID 121121241

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
SMILESCc1cncn(CCNC(=O)C(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C21H21N3O2/c1-16-14-22-15-24(21(16)26)13-12-23-20(25)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,23,25)
InChIKeyOBJWHIYMTUHQNL-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide (PubChem CID 121121241) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
PubChem CID121121241
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
SMILESCc1cncn(CCNC(=O)C(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C21H21N3O2/c1-16-14-22-15-24(21(16)26)13-12-23-20(25)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,23,25)
InChIKeyOBJWHIYMTUHQNL-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(5-methyl-6-oxopyrimidin-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121121115
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-phenylpropyl)urea
CID 121121413
(E)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 121121239
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
4-methyl-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121030
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)propanamide
CID 121121158
1-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121121360
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 121121310
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 121121088
1-(2,4-dimethylphenyl)-3-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121121388
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 121121063

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide (CID 121121241) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide is Cc1cncn(CCNC(=O)C(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide?
The InChIKey is OBJWHIYMTUHQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-14-22-15-24(21(16)26)13-12-23-20(25)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide has a molecular weight of 347.42 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 121121241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).