2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide - CAS 518048-03-8

Name: 2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027606
Product Name:	2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CAS:	518048-03-8
Synonyms:	2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-4-pyrimidinecarboxamide; 2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
Description:	An intermediate in the preparation of HIV-integrase inhibitors.
Molecular Weight:	334.35
Molecular Formula:	C16H19FN4O3
Canonical SMILES:	CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)NCC2=CC=C(C=C2)F)N
InChI:	InChI=1S/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)
InChI Key:	AQLZTHZLYFFVIJ-UHFFFAOYSA-N
Boiling Point:	567.4 °C at 760 mmHg
Purity:	98.0%
Density:	1.35 g/cm³
Appearance:	White solid
MDL:	MFCD10698741
LogP:	1.84000

Publication Number	Title	Priority Date
KR-20210111711-A	Pharmaceutical composition for preventing or treating cancer with kras mutation and activated ron	20200303
WO-2021177721-A1	Pharmaceutical composition for prevention or treatment of cancer in which kras mutation and activated ron are present	20200303
KR-20210076876-A	Novel indazole derivatives and use thereof	20191216
WO-2021125802-A1	Novel indazole derivative, and use thereof	20191216
CN-111333533-A	Diamine containing anthrone structure, polyimide and preparation method thereof	20191215

Complexity:	592
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	334.14411864
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	334.14411864
Rotatable Bond Count:	4
Topological Polar Surface Area:	108
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6

2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide - CAS 518048-03-8

Technical Data

Patents

Computed Properties

Related Products