948578-58-3
4-(N-METHYL-N-PHENYL)AMINO-6-HYDROXY-2-(METHYLTHIO)PYRIMIDINE
Name4-(N-METHYL-N-PHENYL)AMINO-6-HYDROXY-2-(METHYLTHIO)PYRIMIDINE
1Identification
【Name】
4-(N-METHYL-N-PHENYL)AMINO-6-HYDROXY-2-(METHYLTHIO)PYRIMIDINE
【CAS】
【MDL】
MFCD16875712
【English Synonyms】
【Formula】
C12 H13 N3 O S
【MolWeight】
247.321
【Inchi】
InChI=1S/C12H13N3OS/c1-15(9-6-4-3-5-7-9)10-8-11(16)14-12(13-10)17-2/h3-8H,1-2H3,(H,13,14,16)
【InChIKey】
InChIKey=RIOXEHLPQPGLBT-UHFFFAOYSA-N
【SMILES】
CN(c1ccccc1)c2cc(nc(n2)SC)O
【MOL File】
4-(N-METHYL-N-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(N-METHYL-N-PHENYL)AMINO-6-HYDROXY-2-(METHYLTHIO)PYRIMIDINE.cml