Cas no 18620-82-1 (4-Pyrimidinecarboxamide,2,6-diamino-)
18620-82-1 structure
Product Name:4-Pyrimidinecarboxamide,2,6-diamino-
CAS No:18620-82-1
MF:C5H7N5O
MW:153.141979455948
CID:215501
PubChem ID:240909
Update Time:2025-04-19
4-Pyrimidinecarboxamide,2,6-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxamide,2,6-diamino-
- 2,6-diaminopyrimidine-4-carboxamide
- AC1L667S
- AC1Q5FX9
- AR-1D4766
- CTK4D9184
- NSC47802
- NSC-47802
- 18620-82-1
- DTXSID70286814
-
- Inchi： 1S/C5H7N5O/c6-3-1-2(4(7)11)9-5(8)10-3/h1H,(H2,7,11)(H4,6,8,9,10)
- InChI Key： AUPGCSRHUPOJDP-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(N)N=C(N)N=1)N
Computed Properties
- Exact Mass: 153.06521
- Monoisotopic Mass: 153.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 161
- 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: -1.3
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.544
- Boiling Point: 551.6°Cat760mmHg
- Flash Point: 287.4°C
- Refractive Index: 1.736
- PSA: 120.91
- LogP: 0.60260
4-Pyrimidinecarboxamide,2,6-diamino- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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