796738-71-1
2-PYRIMIDINAMINE, N-(2-METHYL-4-NITROPHENYL)-4-(3-PYRIDINYL)-
Name2-PYRIMIDINAMINE, N-(2-METHYL-4-NITROPHENYL)-4-(3-PYRIDINYL)-
1Identification
【Name】
2-PYRIMIDINAMINE, N-(2-METHYL-4-NITROPHENYL)-4-(3-PYRIDINYL)-
【CAS】
【MDL】
MFCD11869876
【English Synonyms】
【Formula】
C16 H13 N5 O2
【MolWeight】
307.312
【Inchi】
InChI=1S/C16H13N5O2/c1-11-9-13(21(22)23)4-5-14(11)19-16-18-8-6-15(20-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)
【InChIKey】
InChIKey=BOYUMEWFHBQARY-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)[N+](=O)[O-]
【MOL File】
2-PYRIMIDINAMINE, N-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PYRIMIDINAMINE, N-(2-METHYL-4-NITROPHENYL)-4-(3-PYRIDINYL)-.cml