2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide

C19H17N3O3 — CID 162656500

IUPAC2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide
SMILESO=C(NCCc1ccc(-c2ccccc2)cc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c23-17-11-13-22(19(25)21-17)18(24)20-12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,13H,10,12H2,(H,20,24)(H,21,23,25)
InChIKeyXKCHTGDYKXWRTD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.00
Rot. Bonds4

About 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide

2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide (PubChem CID 162656500) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide
PubChem CID162656500
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide
SMILESO=C(NCCc1ccc(-c2ccccc2)cc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c23-17-11-13-22(19(25)21-17)18(24)20-12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,13H,10,12H2,(H,20,24)(H,21,23,25)
InChIKeyXKCHTGDYKXWRTD-UHFFFAOYSA-N
XLogP2.00
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
1-(3-Tritylaminopropyl)uracil
CID 11589642
6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 309844
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
1-Benzyluracil
CID 237962
6-Amino-1-benzyluracil
CID 250746
6-[2-(4-ethylphenyl)ethylamino]-1H-pyrimidine-2,4-dione
CID 146025749
[2,4-Dioxo-1-[3-(4-phenylphenyl)propylcarbamoyl]pyrimidin-5-yl] acetate
CID 162651279
[2,4-Dioxo-1-[4-(4-phenylphenyl)butylcarbamoyl]pyrimidin-5-yl] acetate
CID 162653332
6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
CID 308653
N-(3,3-diphenylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 7546299
1-[6-(Tritylamino)hexyl]pyrimidine-2,4-dione
CID 11568685

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide?
The IUPAC name of 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide (CID 162656500) is 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide is O=C(NCCc1ccc(-c2ccccc2)cc1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide?
The InChIKey is XKCHTGDYKXWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17-11-13-22(19(25)21-17)18(24)20-12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,13H,10,12H2,(H,20,24)(H,21,23,25).
What are the key properties of 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide?
2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[2-(4-phenylphenyl)ethyl]pyrimidine-1-carboxamide is sourced from PubChem (CID 162656500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).