Name: Name:1-(3-tert-Butyl-5-iodo-4-Methoxyphenyl)pyriMidin-2,4(1H,3H)-dione
Brand: Angene
SKU: AG008UCE
Rating: 90 (10 reviews)

1-(3-tert-Butyl-5-iodo-4-Methoxyphenyl)pyriMidin-2,4(1H,3H)-dione

CAS No.:

1132940-53-4

Catalog Number:

AG008UCE

Molecular Formula:

C15H17IN2O3

Molecular Weight:

400.2115

Catalog Number:

AG008UCE

Chemical Name:

1-(3-tert-Butyl-5-iodo-4-Methoxyphenyl)pyriMidin-2,4(1H,3H)-dione

CAS Number:

1132940-53-4

Molecular Formula:

C15H17IN2O3

Molecular Weight:

400.2115

MDL Number:

MFCD17012714

IUPAC Name:

1-(3-tert-butyl-5-iodo-4-methoxyphenyl)pyrimidine-2,4-dione

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)

InChI Key:

RFAABRLZVLYULW-UHFFFAOYSA-N

SMILES:

COc1c(I)cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O

EC Number:

800-476-7

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

400.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

400.216g/mol

Monoisotopic Mass:

400.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1