1132940-53-4
1-(3-TERT-BUTYL-5-IODO-4-METHOXYPHENYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Name1-(3-TERT-BUTYL-5-IODO-4-METHOXYPHENYL)PYRIMIDINE-2,4(1H,3H)-DIONE
1Identification
【Name】
1-(3-TERT-BUTYL-5-IODO-4-METHOXYPHENYL)PYRIMIDINE-2,4(1H,3H)-DIONE
【CAS】
【MDL】
MFCD17012714
【English Synonyms】
【Formula】
C15 H17 I N2 O3
【MolWeight】
400.21
【Inchi】
InChI=1S/C15H17IN2O3/c1-15(2,3)10-7-9(8-11(16)13(10)21-4)18-6-5-12(19)17-14(18)20/h5-8H,1-4H3,(H,17,19,20)
【InChIKey】
InChIKey=RFAABRLZVLYULW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1cc(cc(c1OC)I)n2ccc(=O)[nH]c2=O
【MOL File】
1-(3-TERT-BUTYL-5-IO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-TERT-BUTYL-5-IODO-4-METHOXYPHENYL)PYRIMIDINE-2,4(1H,3H)-DIONE.cml