1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea

C14H13N5O3 — CID 54420303

IUPAC1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea
SMILESO=CCNC(=O)N(C(=O)Nc1ncccn1)c1ccccc1
InChIInChI=1S/C14H13N5O3/c20-10-9-17-13(21)19(11-5-2-1-3-6-11)14(22)18-12-15-7-4-8-16-12/h1-8,10H,9H2,(H,17,21)(H,15,16,18,22)
InChIKeyBSBLXPSGQOAPLC-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.42
Rot. Bonds4

About 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea

1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea (PubChem CID 54420303) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea
PubChem CID54420303
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea
SMILESO=CCNC(=O)N(C(=O)Nc1ncccn1)c1ccccc1
InChIInChI=1S/C14H13N5O3/c20-10-9-17-13(21)19(11-5-2-1-3-6-11)14(22)18-12-15-7-4-8-16-12/h1-8,10H,9H2,(H,17,21)(H,15,16,18,22)
InChIKeyBSBLXPSGQOAPLC-UHFFFAOYSA-N
XLogP1.42
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea
CID 54474930
N,N-diphenyl-2-(pyrimidin-2-ylamino)acetamide
CID 56850604
2-[N-(1,2,4-triazin-3-ylcarbamoyl)anilino]acetic acid
CID 114388682
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
N-pyrimidin-2-ylbenzamide
CID 638481
N'-(4-aminophenyl)-N'-phenyl-N-pyrimidin-2-yloxamide
CID 108520702
4-oxo-N-(2-oxoethyl)-3-pyridin-2-ylpent-2-enamide
CID 54036682
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
(E)-but-2-enedioic acid;N-pyrimidin-2-ylbenzamide
CID 162326925
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea (CID 54420303) is 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea is O=CCNC(=O)N(C(=O)Nc1ncccn1)c1ccccc1.
What is the InChIKey of 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea?
The InChIKey is BSBLXPSGQOAPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-10-9-17-13(21)19(11-5-2-1-3-6-11)14(22)18-12-15-7-4-8-16-12/h1-8,10H,9H2,(H,17,21)(H,15,16,18,22).
What are the key properties of 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea?
1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea has a molecular weight of 299.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxoethylcarbamoyl)-1-phenyl-3-pyrimidin-2-ylurea is sourced from PubChem (CID 54420303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).