Cas no 114969-82-3 (4-Pyrimidinecarbonitrile,5,6-dimethyl-)
114969-82-3 structure
Product Name:4-Pyrimidinecarbonitrile,5,6-dimethyl-
CAS No:114969-82-3
MF:C7H7N3
MW:133.150580644608
CID:130560
PubChem ID:13860994
Update Time:2025-04-19
4-Pyrimidinecarbonitrile,5,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarbonitrile,5,6-dimethyl-
- 4-Pyrimidinecarbonitrile, 5,6-dimethyl- (9CI)
- 5,6-dimethylpyrimidine-4-carbonitrile
- SCHEMBL23942195
- AKOS022633444
- F1967-5683
- 114969-82-3
-
- Inchi： 1S/C7H7N3/c1-5-6(2)9-4-10-7(5)3-8/h4H,1-2H3
- InChI Key： XONDZYJZKUQTQP-UHFFFAOYSA-N
- SMILES： N1C=NC(C#N)=C(C)C=1C
Computed Properties
- Exact Mass: 133.06411
- Monoisotopic Mass: 133.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 158
- 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
- Topological Polar Surface Area: 49.6?2
Experimental Properties
- PSA: 49.57
4-Pyrimidinecarbonitrile,5,6-dimethyl- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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