Cas no 13053-89-9 (Benzamide, N-2-pyrimidinyl-)
Benzamide, N-2-pyrimidinyl- structure
Product Name:Benzamide, N-2-pyrimidinyl-
CAS No:13053-89-9
MF:C11H9N3O
MW:199.208661794662
CID:1226006
PubChem ID:638481
Update Time:2025-04-20
Benzamide, N-2-pyrimidinyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-2-pyrimidinyl-
- N-2-Pyrimidinylbenzamide
- 13053-89-9
- SCHEMBL997872
- CHEMBL5181515
- pyrimidine, 2-benzamido-
- AKOS003857832
- N-pyrimidin-2-ylbenzamide
- N-(PYRIMIDIN-2-YL)BENZAMIDE
- InChI=1/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15
- DTXSID70348567
- HS-3731
- 2-benzamido-pyrimidine
-
- Inchi： 1S/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15)
- InChI Key： QBRCMHSAOZCHQH-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)NC1N=CC=CN=1
Computed Properties
- Exact Mass: 199.07467
- Monoisotopic Mass: 199.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 208
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 54.9?2
Experimental Properties
- PSA: 54.88
Benzamide, N-2-pyrimidinyl- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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